* LIGAND DATABASE FILE (OPLS2005)
*
001     111   113    205    289     581
    1     0 S   NP   _N1_     1    28.36917    96.14060   -19.95912
    2     1 S   H    _HN1     2     1.02971    89.41821    47.37197
    3     1 S   H    _H1_     3     1.02834    40.92067   164.71745
    4     1 S   H    _H2_     4     1.02775    79.41153   -61.38745
    5     1 S   CT   _CA1     5     1.50126   150.85298  -178.50511
    6     5 S   HC   _HA1     6     1.09577   105.24426    47.46346
    7     5 S   CO3  _C1_     7     1.53791   112.32725   -72.69609
    8     7 S   O2Z  _O11     8     1.26344   115.01005   -44.80760
    9     7 S   O2Z  _O12     9     1.26242   114.90237   134.31300
   10     5 S   CT   _CB1    10     1.53077   107.38917   165.28417
   11    10 S   HC   HB11    11     1.09817   109.28237   -51.43242
   12    10 S   HC   HB12    12     1.09831   110.41201    65.07874
   13    10 S   CT   _CG1    13     1.53006   112.72168  -172.65583
   14    13 S   HC   HG11    14     1.09603   110.21504   -62.46982
   15    13 S   HC   HG12    15     1.09625   110.21942    56.74284
   16    13 S   C    _CD1    16     1.51813   112.15502   176.91136
   17    16 S   O    _OE1    17     1.22737   123.17105   -12.35853
   18    16 S   N    _N2_    18     1.38573   111.73070   168.31526
   19    18 S   H    _HN2    19     1.01589   119.01163     1.51310
   20    18 S   CT1  _CA2    20     1.46181   123.37455  -176.58780
   21    20 S   HC   _HA2    21     1.09675   109.25799   -16.34555
   22    20 S   C    _C2_    22     1.53091   107.77737  -131.86392
   23    22 S   O    _O2_    23     1.22960   122.69386  -135.64634
   24    20 S   CT   _CB2    32     1.53218   111.22746   105.80302
   25    24 S   HC   HB21    33     1.09583   109.73631    50.17156
   26    24 S   HC   HB22    34     1.09282   110.83216   169.12712
   27    22 S   N    _N3_    24     1.38605   112.82836    51.24377
   28    27 S   H    _HN3    25     1.01523   119.04664    -1.10924
   29    24 S   S    _SG2    35     1.82455   111.30388   -71.40243
   30    27 S   CT   _CA3    26     1.45379   122.86278   173.40373
   31    30 S   HC   HA31    27     1.09553   108.65049    35.15570
   32    30 S   HC   HA32    28     1.09471   107.25131   152.21103
   33    29 S   CT   _C24    36     1.82457    99.11161   158.14150
   34    33 S   HC   _H11    37     1.09380   105.71942   -51.13010
   35    30 S   CO3  _C3_    29     1.53077   113.71087   -87.68175
   36    35 S   O2Z  _O31    30     1.26361   115.84956   -32.34646
   37    35 S   O2Z  _O32    31     1.26416   114.67055   148.51011
   38    33 S   CM   _C21    38     1.51861   110.76866  -169.45708
   39    33 S   OS   _O41    51     1.42498   114.96725    62.81070
   40    38 S   CT   _C14    39     1.52124   114.67900   -86.16904
   41    40 S   HC   _H10    40     1.10281   106.99522   119.83353
   42    38 S   CMA  _C22   105     1.36890   122.78062    91.65697
   43    42 S   OM   _O39   106     1.26915   125.64247  -179.25981
   44    40 S   CT   _C15    41     1.54008   116.27635  -119.98461
   45    44 S   HC   _H17    42     1.09543   112.80986    35.43465
   46    44 S   HC   _H18    43     1.09424   111.46139   -87.69490
   47    42 S   OS   _O40   107     1.41944   111.94368     1.57110
   48    44 S   CM   _C16    44     1.49501   102.55691   154.16400
   49    48 S   HC   _H19    45     1.08072   123.40726   165.89552
   50    47 S   CT   _C23   108     1.42855   113.26465  -129.83116
   51    50 S   HC   _H25   109     1.09406   107.73568   170.55246
   52    50 S   HC   _H26   110     1.09552   111.12978    52.39371
   53    50 S   HC   _H27   111     1.09465   111.03498   -71.40432
   54    48 S   CM   _C17    46     1.33886   111.66091   -17.12361
   55    40 S   CT   _C13    47     1.54128   114.52332     2.32347
   56    55 S   HC   _H9_    48     1.09803   108.69723    89.37996
   57    54 S   CT   _C18    95     1.49267   126.75095  -175.84395
   58    57 S   HC   _H20    96     1.09589   108.95099   102.77732
   59    57 S   HC   _H21    97     1.09514   111.09188   -16.84791
   60    55 S   CO   _C12    49     1.53756   115.51591   -35.55099
   61    60 S   HC   _H8_    50     1.09657   109.21203   -94.11318
   62    57 S   OS   _O37    98     1.43689   108.86250  -135.54730
   63    60 S   OS   _O36    52     1.43614   106.44629   149.62128
   64    62 S   CO4  _C19    99     1.36233   116.66601  -144.82881
   65    64 S   O    _O38   100     1.22334   126.55249    -3.89601
   66    63 S   CO   _C11    53     1.43202   114.00936   165.46492
   67    66 S   HC   _H7_    54     1.09743   108.36225    60.29207
   68    64 S   CT   _C20   101     1.49833   109.47552   175.78704
   69    68 S   HC   _H22   102     1.09306   109.75385   -61.27214
   70    68 S   HC   _H23   103     1.09381   109.35562   179.77015
   71    68 S   HC   _H24   104     1.09281   109.88249    60.67054
   72    66 S   CT   _C10    55     1.53495   106.90036   179.73312
   73    72 S   HC   _H6_    56     1.09809   108.95937    55.09368
   74    72 S   CT   _C9_    57     1.53453   110.89821   176.34323
   75    74 S   HC   _H5_    58     1.09776   109.53486    71.44143
   76    72 S   OS   _O42    88     1.44697   108.37812   -64.40910
   77    74 S   CT   _C8_    59     1.53471   110.61253   -51.03943
   78    77 S   HC   _H4_    60     1.09763   108.50065   -69.57652
   79    74 S   OS   _O44    81     1.44811   107.41336  -169.66621
   80    76 S   CO4  _C25    89     1.36284   117.65678   142.25564
   81    80 S   O    _O43    90     1.22351   126.56389    -1.58807
   82    77 S   CT   _C7_    61     1.53488   110.16461    50.92274
   83    82 S   HC   _H3_    62     1.09838   110.41127    63.70604
   84    77 S   OS   _O46    74     1.44372   109.27344   169.26923
   85    79 S   CO4  _C27    82     1.36155   118.18589  -140.65745
   86    85 S   O    _O45    83     1.22292   126.57091    -1.43217
   87    80 S   CT   _C26    91     1.49766   109.69612   179.38293
   88    87 S   HC   _H28    92     1.09289   110.04702   -48.40178
   89    87 S   HC   _H29    93     1.09374   109.32565  -166.76885
   90    87 S   HC   _H30    94     1.09178   109.60436    73.66876
   91    66 S   OS   _O35    63     1.42889   111.19983   -61.07143
   92    82 S   CT   _C6_    64     1.53306   112.67895  -176.53954
   93    92 S   HC   _H15    65     1.09593   110.33723   -65.72290
   94    92 S   HC   _H16    66     1.09630   109.76802   173.45264
   95    84 S   CO4  _C29    75     1.36227   117.99938   104.44019
   96    95 S   O    _O47    76     1.22291   126.63347    -0.27836
   97    85 S   CT   _C28    84     1.49816   109.39018   179.02001
   98    97 S   HC   _H31    85     1.09300   109.83027   -59.59162
   99    97 S   HC   _H32    86     1.09375   109.36633  -178.56033
  100    97 S   HC   _H33    87     1.09287   109.79259    62.31409
  101    92 S   OS   _O34    67     1.43823   109.54572    54.72196
  102    95 S   CT   _C30    77     1.49832   109.38914   179.97202
  103   102 S   HC   _H34    78     1.09293   109.82725   -60.34993
  104   102 S   HC   _H35    79     1.09377   109.36241  -179.35563
  105   102 S   HC   _H36    80     1.09288   109.81886    61.57260
  106   101 S   CO4  _C5_    68     1.36172   115.70757  -176.75532
  107   106 S   O    _O33    69     1.22326   126.24528    -0.22900
  108   106 S   CT   _C4_    70     1.49827   109.53808   179.71333
  109   108 S   HC   _H12    71     1.09295   109.80865   -61.14571
  110   108 S   HC   _H13    72     1.09376   109.36691   179.79064
  111   108 S   HC   _H14    73     1.09295   109.83127    60.73775
  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   7   5   4   3
  13   5   2   1   1  15   9  16   9   8   2   9   5   4   4   9
   3   3   2   1   1  10   9   4   7   3   2   6   2   6   8   5
   4  13   6   3   2   1   1  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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    60    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    55    60    61    39    63    42    43    47  
   38    40    60    39    42  
   36    37  
   37  
    0  
   40    41    44    45    46    48    54    55    56    60    39    42    43    47    50  
   63    66    42    40    54    55    56    60    61  
   41    44    45    46    48    49    54    55    56    60    61    63    57    42    43    47  
   44    45    46    48    54    55    56    60    42  
   43    47    50    51    52    53    44    55  
   47    50  
   45    46    48    49    54    55    56    60    57  
   46    48    49    54    55  
   48    49    54    55  
   50    51    52    53  
   49    54    55    56    60    57    58    59    62  
   54    55    57  
   51    52    53  
   52    53  
   53  
    0  
   55    56    60    61    63    57    58    59    62    64  
   56    60    61    63    66    57    58    59    62  
   60    61    63    57  
   58    59    62    64    65    68    60  
   59    62    64  
   62    64  
   61    63    66    67    72    91  
   63    66  
   64    65    68    69    70    71  
   66    67    72    73    74    82    91    76  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    77    82    83    91    92    79    76    80  
   72    73    74    82    91    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    77    78    82    91    84    79    85    76    80    81    87  
   74    75    77    91    79    76    80  
   75    77    78    82    83    91    92    84    95    79    85    86    97    76    80  
   77    78    82    84    79    85    76  
   80    81    87    88    89    90    77    79    91  
   78    82    83    91    92    93    94   101    84    95    96   102    79    85  
   82    83    91    92    84    95    79  
   85    86    97    98    99   100    82    84  
   81    87    88    89    90  
   87    88    89    90  
   83    91    92    93    94   101   106    84    95  
   91    92    93    94   101    84  
   95    96   102   103   104   105    91    92  
   86    97    98    99   100  
   97    98    99   100  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94   101  
   93    94   101   106   107   108  
   94   101   106  
  101   106  
   96   102   103   104   105  
  102   103   104   105  
   98    99   100  
   99   100  
  100  
    0  
  106   107   108   109   110   111  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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   0.387900   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   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   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    55   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    54   549.000  1.340
   54    55   317.000  1.510
   54    57   317.000  1.510
   55    56   340.000  1.090
   55    60   250.000  1.527
   60    61   340.000  1.090
   60    39   320.000  1.380
   60    63   320.000  1.380
   63    66   320.000  1.380
   66    67   340.000  1.090
   66    72   250.000  1.527
   66    91   320.000  1.380
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    76   320.000  1.410
   74    75   340.000  1.090
   74    77   268.000  1.529
   74    79   320.000  1.410
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    84   320.000  1.410
   82    83   340.000  1.090
   82    91   320.000  1.410
   82    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92   101   320.000  1.410
  101   106   214.000  1.327
  106   107   570.000  1.229
  106   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   84    95   214.000  1.327
   95    96   570.000  1.229
   95   102   317.000  1.522
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   79    85   214.000  1.327
   85    86   570.000  1.229
   85    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   76    80   214.000  1.327
   80    81   570.000  1.229
   80    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    60    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    55    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    70.00000  112.02700
   40    55    54    70.00000  112.02700
   40    55    56    37.50000  110.70000
   40    55    60    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    48    49    35.00000  117.00000
   44    48    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    54    55    70.00000  124.00000
   48    54    57    70.00000  124.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    60    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    85.00000  110.90400
   55    40    41    37.50000  110.70000
   55    40    44    58.35000  112.70000
   55    60    61    45.00000  112.01100
   55    60    39    90.00000  108.56700
   55    60    63    90.00000  108.56700
   60    55    56    45.00000  108.72000
   60    63    66   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    60    61    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    39    92.60000  111.55000
   63    66    67    35.00000  109.50000
   63    66    72    90.00000  108.56700
   63    66    91    92.60000  111.55000
   66    72    73    45.00000  108.72000
   66    72    74    75.00000  109.43000
   66    72    76    90.00000  109.38000
   66    91    82    60.00000  109.50000
   72    66    67    45.00000  112.01100
   72    74    75    37.50000  110.70000
   72    74    77    58.35000  112.70000
   72    74    79    50.00000  109.50000
   72    76    80    83.00000  116.90000
   74    72    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    82    58.35000  112.70000
   74    77    84    50.00000  109.50000
   74    79    85    83.00000  116.90000
   77    74    75    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    91    50.00000  109.50000
   77    82    92    58.35000  112.70000
   77    84    95    83.00000  116.90000
   82    77    78    37.50000  110.70000
   82    92    93    37.50000  110.70000
   82    92    94    37.50000  110.70000
   82    92   101    50.00000  109.50000
   91    66    67    35.00000  109.50000
   91    66    72    90.00000  108.56700
   91    82    83    35.00000  109.50000
   92    82    83    37.50000  110.70000
   92    82    91    50.00000  109.50000
   92   101   106    83.00000  116.90000
   94    92    93    33.00000  107.80000
  101    92    93    35.00000  109.50000
  101    92    94    35.00000  109.50000
  101   106   107    83.00000  123.40000
  101   106   108    81.00000  111.40000
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    35.00000  109.50000
  108   106   107    80.00000  120.40000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   84    77    78    35.00000  109.50000
   84    77    82    50.00000  109.50000
   84    95    96    83.00000  123.40000
   84    95   102    81.00000  111.40000
   95   102   103    35.00000  109.50000
   95   102   104    35.00000  109.50000
   95   102   105    35.00000  109.50000
  102    95    96    80.00000  120.40000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    77    50.00000  109.50000
   79    85    86    83.00000  123.40000
   79    85    97    81.00000  111.40000
   85    97    98    35.00000  109.50000
   85    97    99    35.00000  109.50000
   85    97   100    35.00000  109.50000
   97    85    86    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    50.00000  109.50000
   76    80    81    83.00000  123.40000
   76    80    87    81.00000  111.40000
   80    87    88    35.00000  109.50000
   80    87    89    35.00000  109.50000
   80    87    90    35.00000  109.50000
   87    80    81    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   57    54    55    65.00000  117.92700
   57    62    64    83.00000  116.90000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    68    81.00000  111.40000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    47    50    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    60   0.14700  1.0 1.0
   29    33    39    60  -1.16150 -1.0 2.0
   29    33    39    60   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    55   0.46850  1.0 1.0
   33    38    40    55   0.08550 -1.0 2.0
   33    38    40    55   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    60   0.37050  1.0 3.0
   38    33    39    60  -0.77900  1.0 1.0
   38    33    39    60  -0.36900 -1.0 2.0
   38    33    39    60   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    48   0.31000  1.0 1.0
   38    40    44    48   0.14700 -1.0 2.0
   38    40    44    48   0.07550  1.0 3.0
   38    40    55    54   0.31000  1.0 1.0
   38    40    55    54   0.14700 -1.0 2.0
   38    40    55    54   0.07550  1.0 3.0
   38    40    55    56   0.15000  1.0 3.0
   38    40   -55    60   0.34400  1.0 1.0
   38    40   -55    60   0.09450 -1.0 2.0
   38    40   -55    60   0.11100  1.0 3.0
   38    42    47    50  -2.26850  1.0 1.0
   38    42    47    50   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    47   7.00000 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44   -48    54   0.09850  1.0 1.0
   40    44   -48    54   0.15250 -1.0 2.0
   40    44   -48    54  -0.50650  1.0 3.0
   40    55    60    61   0.15000  1.0 3.0
   40    55    60    39   0.62750  1.0 1.0
   40    55    60    39  -0.30950 -1.0 2.0
   40    55    60    39   0.27300  1.0 3.0
   40    55    60    63   0.62750  1.0 1.0
   40    55    60    63  -0.30950 -1.0 2.0
   40    55    60    63   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    55    54   0.15000  1.0 3.0
   41    40    55    56   0.15000  1.0 3.0
   41    40    55    60   0.15000  1.0 3.0
   44    40   -55    54   0.34400  1.0 1.0
   44    40   -55    54   0.09450 -1.0 2.0
   44    40   -55    54   0.11100  1.0 3.0
   44    40    55    56   0.15000  1.0 3.0
   44    40    55    60   3.97050  1.0 1.0
   44    48   -54    55   7.00000 -1.0 2.0
   44    48    54    57   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    54   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    54   0.00000  1.0 1.0
   48    54   -55    40   0.09850  1.0 1.0
   48    54   -55    40   0.15250 -1.0 2.0
   48    54   -55    40  -0.50650  1.0 3.0
   48    54    55    56   0.00000  1.0 1.0
   48    54    55    60   0.09850  1.0 1.0
   48    54    55    60   0.15250 -1.0 2.0
   48    54    55    60  -0.50650  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    62   0.39000  1.0 1.0
   48    54    57    62  -0.05800 -1.0 2.0
   48    54    57    62  -0.55150  1.0 3.0
   49    48    54    55   7.00000 -1.0 2.0
   49    48    54    57   7.00000 -1.0 2.0
   54    55    60    61   0.15000  1.0 3.0
   54    55    60    39   0.61850  1.0 1.0
   54    55    60    39  -0.22750 -1.0 2.0
   54    55    60    39   0.15300  1.0 3.0
   54    55    60    63   0.61850  1.0 1.0
   54    55    60    63  -0.22750 -1.0 2.0
   54    55    60    63   0.15300  1.0 3.0
   54    57    62    64  -0.82050  1.0 1.0
   54    57    62    64   0.00600 -1.0 2.0
   54    57    62    64   0.04400  1.0 3.0
   55    40    44    45   0.15000  1.0 3.0
   55    40    44    46   0.15000  1.0 3.0
   55    40   -44    48   0.34400  1.0 1.0
   55    40   -44    48   0.09450 -1.0 2.0
   55    40   -44    48   0.11100  1.0 3.0
   55    54    57    58   0.34800  1.0 3.0
   55    54    57    59   0.34800  1.0 3.0
   55    54    57    62   0.09700  1.0 1.0
   55    54    57    62   0.15600 -1.0 2.0
   55    54    57    62  -0.50800  1.0 3.0
   55    60   -39    33   0.06250  1.0 1.0
   55    60   -39    33  -0.01100 -1.0 2.0
   55    60   -39    33   0.28050  1.0 3.0
   55    60    63    66   0.06250  1.0 1.0
   55    60    63    66  -0.01100 -1.0 2.0
   55    60    63    66   0.28050  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    39   0.23400  1.0 3.0
   56    55    60    63   0.23400  1.0 3.0
   60    63    66    67   0.37050  1.0 3.0
   60    63    66    72   0.06250  1.0 1.0
   60    63    66    72  -0.01100 -1.0 2.0
   60    63    66    72   0.28050  1.0 3.0
   60    63    66    91  -0.53350  1.0 1.0
   60    63    66    91  -0.78350 -1.0 2.0
   60    63    66    91   0.33750  1.0 3.0
   61    60    39    33   0.37050  1.0 3.0
   61    60    63    66   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    60    63    66  -0.53350  1.0 1.0
   39    60    63    66  -0.78350 -1.0 2.0
   39    60    63    66   0.33750  1.0 3.0
   63    60    39    33  -0.81800  1.0 1.0
   63    66    72    73   0.23400  1.0 3.0
   63    66    72    74   0.62750  1.0 1.0
   63    66    72    74  -0.30950 -1.0 2.0
   63    66    72    74   0.27300  1.0 3.0
   63    66    72    76   1.11900  1.0 1.0
   63    66    72    76  -1.16350 -1.0 2.0
   63    66    72    76  -0.34150  1.0 3.0
   63    66    91    82  -0.81800  1.0 1.0
   66    72    74    75   0.15000  1.0 3.0
   66    72    74    77   3.97050  1.0 1.0
   66    72    74    79   0.62750  1.0 1.0
   66    72    74    79  -0.30950 -1.0 2.0
   66    72    74    79   0.27300  1.0 3.0
   66    72    76    80  -0.25900  1.0 1.0
   66    72    76    80  -0.47000 -1.0 2.0
   66    72    76    80   0.11750  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    76   0.23400  1.0 3.0
   67    66    91    82   0.37050  1.0 3.0
   72    66    91    82   0.06250  1.0 1.0
   72    66    91    82  -0.01100 -1.0 2.0
   72    66    91    82   0.28050  1.0 3.0
   72    74    77    78   0.15000  1.0 3.0
   72    74   -77    82   0.56750  1.0 1.0
   72    74   -77    82  -0.07550 -1.0 2.0
   72    74   -77    82   0.20000  1.0 3.0
   72    74    77    84   0.62750  1.0 1.0
   72    74    77    84  -0.30950 -1.0 2.0
   72    74    77    84   0.27300  1.0 3.0
   72    74    79    85  -0.25900  1.0 1.0
   72    74    79    85  -0.47000 -1.0 2.0
   72    74    79    85   0.11750  1.0 3.0
   72    76    80    81   3.00000 -1.0 2.0
   72    76    80    87   1.63150  1.0 1.0
   72    76    80    87   2.92000 -1.0 2.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    74    79   0.23400  1.0 3.0
   73    72    76    80   0.08050  1.0 3.0
   74    72    76    80  -0.25900  1.0 1.0
   74    72    76    80  -0.47000 -1.0 2.0
   74    72    76    80   0.11750  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    91   0.62750  1.0 1.0
   74    77    82    91  -0.30950 -1.0 2.0
   74    77    82    91   0.27300  1.0 3.0
   74    77    82    92   0.56750  1.0 1.0
   74    77    82    92  -0.07550 -1.0 2.0
   74    77    82    92   0.20000  1.0 3.0
   74    77    84    95  -0.25900  1.0 1.0
   74    77    84    95  -0.47000 -1.0 2.0
   74    77    84    95   0.11750  1.0 3.0
   74    79    85    86   3.00000 -1.0 2.0
   74    79    85    97   1.63150  1.0 1.0
   74    79    85    97   2.92000 -1.0 2.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   75    74    77    84   0.23400  1.0 3.0
   75    74    79    85   0.08050  1.0 3.0
   77    74    79    85  -0.25900  1.0 1.0
   77    74    79    85  -0.47000 -1.0 2.0
   77    74    79    85   0.11750  1.0 3.0
   77    82   -91    66   0.06250  1.0 1.0
   77    82   -91    66  -0.01100 -1.0 2.0
   77    82   -91    66   0.28050  1.0 3.0
   77    82    92    93   0.15000  1.0 3.0
   77    82    92    94   0.15000  1.0 3.0
   77    82    92   101   0.62750  1.0 1.0
   77    82    92   101  -0.30950 -1.0 2.0
   77    82    92   101   0.27300  1.0 3.0
   77    84    95    96   3.00000 -1.0 2.0
   77    84    95   102   1.63150  1.0 1.0
   77    84    95   102   2.92000 -1.0 2.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    91   0.23400  1.0 3.0
   78    77    82    92   0.15000  1.0 3.0
   78    77    84    95   0.08050  1.0 3.0
   82    77    84    95  -0.25900  1.0 1.0
   82    77    84    95  -0.47000 -1.0 2.0
   82    77    84    95   0.11750  1.0 3.0
   82    92   101   106  -0.25900  1.0 1.0
   82    92   101   106  -0.47000 -1.0 2.0
   82    92   101   106   0.11750  1.0 3.0
   83    82    91    66   0.37050  1.0 3.0
   83    82    92    93   0.15000  1.0 3.0
   83    82    92    94   0.15000  1.0 3.0
   83    82    92   101   0.23400  1.0 3.0
   91    66    72    73   0.23400  1.0 3.0
   91    66   -72    74   0.62750  1.0 1.0
   91    66   -72    74  -0.30950 -1.0 2.0
   91    66   -72    74   0.27300  1.0 3.0
   91    66    72    76   1.11900  1.0 1.0
   91    66    72    76  -1.16350 -1.0 2.0
   91    66    72    76  -0.34150  1.0 3.0
   91    82    92    93   0.23400  1.0 3.0
   91    82    92    94   0.23400  1.0 3.0
   91    82    92   101   1.11900  1.0 1.0
   91    82    92   101  -1.16350 -1.0 2.0
   91    82    92   101  -0.34150  1.0 3.0
   92    82    91    66   0.06250  1.0 1.0
   92    82    91    66  -0.01100 -1.0 2.0
   92    82    91    66   0.28050  1.0 3.0
   92   101   106   107   3.00000 -1.0 2.0
   92   101   106   108   1.63150  1.0 1.0
   92   101   106   108   2.92000 -1.0 2.0
   93    92   101   106   0.08050  1.0 3.0
   94    92   101   106   0.08050  1.0 3.0
  101   106   108   109   0.00000  1.0 1.0
  101   106   108   110   0.00000  1.0 1.0
  101   106   108   111   0.00000  1.0 1.0
  107   106   108   109   0.00000  1.0 1.0
  107   106   108   110   0.00000  1.0 1.0
  107   106   108   111   0.00000  1.0 1.0
   84    77    82    83   0.23400  1.0 3.0
   84    77    82    91   1.11900  1.0 1.0
   84    77    82    91  -1.16350 -1.0 2.0
   84    77    82    91  -0.34150  1.0 3.0
   84    77    82    92   0.62750  1.0 1.0
   84    77    82    92  -0.30950 -1.0 2.0
   84    77    82    92   0.27300  1.0 3.0
   84    95   102   103   0.00000  1.0 1.0
   84    95   102   104   0.00000  1.0 1.0
   84    95   102   105   0.00000  1.0 1.0
   96    95   102   103   0.00000  1.0 1.0
   96    95   102   104   0.00000  1.0 1.0
   96    95   102   105   0.00000  1.0 1.0
   79    74    77    78   0.23400  1.0 3.0
   79    74    77    82   0.62750  1.0 1.0
   79    74    77    82  -0.30950 -1.0 2.0
   79    74    77    82   0.27300  1.0 3.0
   79    74    77    84   1.11900  1.0 1.0
   79    74    77    84  -1.16350 -1.0 2.0
   79    74    77    84  -0.34150  1.0 3.0
   79    85    97    98   0.00000  1.0 1.0
   79    85    97    99   0.00000  1.0 1.0
   79    85    97   100   0.00000  1.0 1.0
   86    85    97    98   0.00000  1.0 1.0
   86    85    97    99   0.00000  1.0 1.0
   86    85    97   100   0.00000  1.0 1.0
   76    72    74    75   0.23400  1.0 3.0
   76    72    74    77   0.62750  1.0 1.0
   76    72    74    77  -0.30950 -1.0 2.0
   76    72    74    77   0.27300  1.0 3.0
   76    72    74    79   1.11900  1.0 1.0
   76    72    74    79  -1.16350 -1.0 2.0
   76    72    74    79  -0.34150  1.0 3.0
   76    80    87    88   0.00000  1.0 1.0
   76    80    87    89   0.00000  1.0 1.0
   76    80    87    90   0.00000  1.0 1.0
   81    80    87    88   0.00000  1.0 1.0
   81    80    87    89   0.00000  1.0 1.0
   81    80    87    90   0.00000  1.0 1.0
   57    54    55    40   0.46850  1.0 1.0
   57    54    55    40   0.08550 -1.0 2.0
   57    54    55    40   0.09800  1.0 3.0
   57    54    55    56   0.34800  1.0 3.0
   57    54    55    60   0.46850  1.0 1.0
   57    54    55    60   0.08550 -1.0 2.0
   57    54    55    60   0.09800  1.0 3.0
   57    62    64    65   3.00000 -1.0 2.0
   57    62    64    68   1.63150  1.0 1.0
   57    62    64    68   2.92000 -1.0 2.0
   58    57    62    64   0.08050  1.0 3.0
   59    57    62    64   0.08050  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   62    64    68    70   0.00000  1.0 1.0
   62    64    68    71   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    55   0.09850  1.0 1.0
   42    38    40    55   0.15250 -1.0 2.0
   42    38    40    55  -0.50650  1.0 3.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   43    42    47    50   2.00000 -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
   33    40    38    42   1.10000 -1.0 2.0
   44    49    48    54   1.10000 -1.0 2.0
   55    57    54    48   1.10000 -1.0 2.0
  101   108   106   107  10.50000 -1.0 2.0
   84   102    95    96  10.50000 -1.0 2.0
   79    97    85    86  10.50000 -1.0 2.0
   76    87    80    81  10.50000 -1.0 2.0
   62    68    64    65  10.50000 -1.0 2.0
   43    47    42    38   1.10000 -1.0 2.0
END
