* LIGAND DATABASE FILE (OPLS2005)
*
001     117   116    212    296     608
    1     0 S   NP   _N1_     1    28.95929    95.78332   -20.97853
    2     1 S   H    _HN1     2     1.02797    86.51720   -89.63864
    3     1 S   H    _H1_     3     1.02949    84.86125    19.15295
    4     1 S   H    _H2_     4     1.02828    38.24469   145.32308
    5     1 S   CT   _CA1     5     1.50040   148.94498   141.17751
    6     5 S   HC   _HA1     6     1.09427   105.17514    61.95854
    7     5 S   CO3  _C1_     7     1.53767   112.64042   -58.09887
    8     7 S   O2Z  _O11     8     1.26361   115.01475   -42.63158
    9     7 S   O2Z  _O12     9     1.26258   114.93297   136.61064
   10     5 S   CT   _CB1    10     1.53021   107.46393   179.93147
   11    10 S   HC   HB11    11     1.09802   109.56479   -49.38350
   12    10 S   HC   HB12    12     1.09815   110.36773    67.23999
   13    10 S   CT   _CG1    13     1.52890   112.44688  -170.52369
   14    13 S   HC   HG11    14     1.09593   110.29238   -62.97273
   15    13 S   HC   HG12    15     1.09607   110.26466    56.14287
   16    13 S   C    _CD1    16     1.51709   112.37778   176.98513
   17    16 S   O    _OE1    17     1.22691   123.44613    -0.85707
   18    16 S   N    _N2_    18     1.38493   111.31279   178.58100
   19    18 S   H    _HN2    19     1.01495   118.71347     4.13484
   20    18 S   CT1  _CA2    20     1.46103   123.73352  -175.67030
   21    20 S   HC   _HA2    21     1.09694   109.37994   -16.18145
   22    20 S   C    _C2_    22     1.53336   107.88438  -132.32629
   23    22 S   O    _O2_    23     1.23034   122.42551  -145.98185
   24    20 S   CT   _CB2    32     1.53557   111.55194   106.17583
   25    24 S   HC   HB21    33     1.09504   109.53017    58.79676
   26    24 S   HC   HB22    34     1.09482   110.13886   177.04335
   27    22 S   N    _N3_    24     1.38412   113.48613    41.10779
   28    27 S   H    _HN3    25     1.01660   119.53936    -1.83323
   29    24 S   S    _SG2    35     1.82967   112.20945   -62.78756
   30    27 S   CT   _CA3    26     1.45290   122.79843   177.94119
   31    30 S   HC   HA31    27     1.09540   107.81672   -61.62135
   32    30 S   HC   HA32    28     1.09582   107.63443    54.70429
   33    29 S   CT   _C27    36     1.85243    99.89407   157.16635
   34    33 S   HC   _H3_    37     1.09549   106.39711   -37.94163
   35    30 S   CO3  _C3_    29     1.52789   114.01560   177.07470
   36    35 S   O2Z  _O31    30     1.26326   115.85937    19.45785
   37    35 S   O2Z  _O32    31     1.26385   114.60440  -160.51370
   38    33 S   CT   _C26    38     1.54964   107.64349    78.11863
   39    38 S   HC   _H36    39     1.09707   110.19132   -40.67136
   40    38 S   HC   _H37    40     1.09638   110.06108    74.41758
   41    33 S   CT   _C28   107     1.56629   111.65179  -154.12338
   42    38 S   CT   _C25    41     1.53665   115.90077  -162.29069
   43    42 S   HC   _H34    42     1.09855   108.13156  -174.91230
   44    42 S   HC   _H35    43     1.09436   110.36745   -61.25837
   45    41 S   CT   _C29   108     1.53934   112.40881    54.94911
   46    45 S   HC   _H38   109     1.09483   110.68141    53.61141
   47    45 S   HC   _H39   110     1.09375   112.86513   -68.65658
   48    45 S   HC   _H40   111     1.09683   110.77300   170.79132
   49    41 S   CT   _C30   112     1.53444   113.99155   -70.23335
   50    49 S   HC   _H41   113     1.09475   111.47655   -64.76347
   51    49 S   HC   _H42   114     1.09684   110.58486   178.31507
   52    49 S   HC   _H43   115     1.09370   112.33924    57.87800
   53    41 S   OH   _O33   116     1.43527   107.77435   170.76384
   54    53 S   HO   _H44   117     0.97256   108.27437   178.71900
   55    42 S   CM   _C23    44     1.51895   114.28972    65.10885
   56    55 S   CM   _C22    45     1.34785   120.23511  -112.95537
   57    56 S   HC   _H30    46     1.08957   117.84760     0.87693
   58    55 S   CT   _C24   103     1.50518   114.97198    68.79722
   59    58 S   HC   _H31   104     1.09439   110.34586   -73.06109
   60    58 S   HC   _H32   105     1.09536   110.22014    46.56622
   61    58 S   HC   _H33   106     1.09138   113.63322   165.92087
   62    56 S   CT   _C21    47     1.50453   128.25363  -178.50119
   63    62 S   HC   _H28    48     1.09768   107.24061   121.81974
   64    62 S   HC   _H29    49     1.09262   112.71575     6.21151
   65    62 S   CT   _C20    50     1.53594   113.20291  -119.09095
   66    65 S   HC   _H26    51     1.09819   108.86219   -58.28651
   67    65 S   HC   _H27    52     1.09801   108.39370  -172.65172
   68    65 S   CM   _C18    53     1.51860   114.96024    66.51272
   69    68 S   CM   _C17    54     1.34788   120.02440  -122.00192
   70    69 S   HC   _H22    55     1.08937   118.29019     0.88293
   71    68 S   CT   _C19    99     1.50490   115.67919    60.64303
   72    71 S   HC   _H23   100     1.09342   110.54731   -74.79278
   73    71 S   HC   _H24   101     1.09535   110.14416    45.01985
   74    71 S   HC   _H25   102     1.09226   113.38370   164.21346
   75    69 S   CT   _C16    56     1.50405   127.59737   179.35260
   76    75 S   HC   _H20    57     1.09655   107.34858  -132.95275
   77    75 S   HC   _H21    58     1.09402   111.60601   -17.81489
   78    75 S   CT   _C15    59     1.53149   113.39378   107.36864
   79    78 S   HC   _H18    60     1.09734   110.44639    49.03577
   80    78 S   HC   _H19    61     1.09550   109.18066   164.50345
   81    78 S   CM   _C14    62     1.50433   112.21334   -72.37925
   82    81 S   HC   _H17    63     1.08920   114.41208    83.11517
   83    81 S   CM   _C13    64     1.34755   127.23680   -97.00111
   84    83 S   CT   _C31    65     1.50664   120.13912   179.52481
   85    84 S   HC   _H45    66     1.09422   110.63466   117.81296
   86    84 S   HC   _H46    67     1.09528   112.28692    -2.26555
   87    84 S   HC   _H47    68     1.09495   110.27619  -122.01734
   88    83 S   CT   _C12    69     1.51427   124.39088     1.78575
   89    88 S   HC   _H15    70     1.09843   108.72891   131.34704
   90    88 S   HC   _H16    71     1.09591   111.11743    16.28829
   91    88 S   CT   _C11    72     1.53514   112.17530  -106.85744
   92    91 S   HC   _H13    73     1.09621   109.79946   -64.34901
   93    91 S   HC   _H14    74     1.09463   108.75345    53.02180
   94    91 S   CM   _C10    75     1.50408   111.22904   176.09244
   95    94 S   HC   _H12    76     1.08927   114.60012    41.59219
   96    94 S   CM   _C9_    77     1.34759   127.55009  -138.04233
   97    96 S   CT   _C32    78     1.50405   124.43166    -3.54624
   98    97 S   HC   _H48    79     1.09354   110.56272   107.07801
   99    97 S   HC   _H49    80     1.09273   113.14588   -14.30698
  100    97 S   HC   _H50    81     1.09545   110.16146  -133.23788
  101    96 S   CT   _C8_    82     1.51765   119.99136   178.24487
  102   101 S   HC   _H10    83     1.09801   110.27521    10.19624
  103   101 S   HC   _H11    84     1.09773   109.15142   125.95377
  104   101 S   CT   _C7_    85     1.53153   112.00800  -111.74871
  105   104 S   HC   _H8_    86     1.09719   109.96804   -66.50984
  106   104 S   HC   _H9_    87     1.09261   109.96181    49.59419
  107   104 S   CM   _C6_    88     1.50241   111.71188   173.96187
  108   107 S   HC   _H7_    89     1.08937   114.24042    71.93816
  109   107 S   CM   _C5_    90     1.34688   127.55134  -109.12793
  110   109 S   CT   _C4_    91     1.50559   120.45217  -178.46405
  111   110 S   HC   _H4_    92     1.09498   110.19513   121.11864
  112   110 S   HC   _H5_    93     1.09511   112.41223     1.07738
  113   110 S   HC   _H6_    94     1.09495   110.28910  -119.06156
  114   109 S   CT   _C33    95     1.50355   125.21545     2.21523
  115   114 S   HC   _H51    96     1.09541   110.09186   127.86061
  116   114 S   HC   _H52    97     1.09176   113.57863     8.31305
  117   114 S   HC   _H53    98     1.09479   110.07937  -112.84309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  11  10   4   3   9   4   3   2
   5   3   2   1   1   1  10  12   5   4   2   1   1   8   5   4
  10   4   3  10  12   5   4   2   1   1   8   5   4   7   4   3
  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3  11
   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    58    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    62    58    59    60    61  
   44    55    56    58  
   55    56    58  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    66    67    68    58    59    60    61  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    71  
   68    69    71  
   69    70    75    76    77    78    71    72    73    74  
   70    75    76    77    78    79    80    81    71    72    73    74  
   75    76    77    78    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    88  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86    87    88    89    90    91  
   83    84    88  
   84    85    86    87    88    89    90    91    92    93    94  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94  
   91    92    93    94  
   92    93    94    95    96    97   101  
   93    94    95    96  
   94    95    96  
   95    96    97    98    99   100   101   102   103   104  
   96    97   101  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107   108   109  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   114  
  106   107   108   109  
  107   108   109  
  108   109   110   111   112   113   114   115   116   117  
  109   110   114  
  110   111   112   113   114   115   116   117  
  111   112   113   114   115   116   117  
  112   113   114  
  113   114  
  114  
  115   116   117  
  116   117  
  117  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   95   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  108   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   317.000  1.510
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   549.000  1.340
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.510
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   317.000  1.510
   83    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   317.000  1.510
   94    95   340.000  1.080
   94    96   549.000  1.340
   96    97   317.000  1.510
   96   101   317.000  1.510
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   317.000  1.510
  107   108   340.000  1.080
  107   109   549.000  1.340
  109   110   317.000  1.510
  109   114   317.000  1.510
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    70.00000  124.00000
   42    55    58    65.00000  117.92700
   44    42    43    33.00000  107.80000
   55    42    43    35.00000  109.50000
   55    42    44    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  124.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    70.00000  112.02700
   62    56    57    35.00000  117.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    70.00000  124.00000
   65    68    71    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    75    70.00000  124.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    70.00000  112.02700
   75    69    70    35.00000  117.00000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    70.00000  112.02700
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  117.00000
   78    81    83    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    70.00000  124.00000
   81    83    88    70.00000  124.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    70.00000  112.02700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    83    84    65.00000  117.92700
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    70.00000  112.02700
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    94    95    35.00000  117.00000
   91    94    96    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    96    97    70.00000  124.00000
   94    96   101    70.00000  124.00000
   96    94    95    35.00000  120.00000
   96    97    98    35.00000  109.50000
   96    97    99    35.00000  109.50000
   96    97   100    35.00000  109.50000
   96   101   102    35.00000  109.50000
   96   101   103    35.00000  109.50000
   96   101   104    70.00000  112.02700
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    96    97    65.00000  117.92700
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    70.00000  112.02700
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    35.00000  117.00000
  104   107   109    70.00000  124.00000
  106   104   105    33.00000  107.80000
  107   104   105    35.00000  109.50000
  107   104   106    35.00000  109.50000
  107   109   110    70.00000  124.00000
  107   109   114    70.00000  124.00000
  109   107   108    35.00000  120.00000
  109   110   111    35.00000  109.50000
  109   110   112    35.00000  109.50000
  109   110   113    35.00000  109.50000
  109   114   115    35.00000  109.50000
  109   114   116    35.00000  109.50000
  109   114   117    35.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  114   109   110    65.00000  117.92700
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    53   0.56750  1.0 1.0
   29    33    41    53  -0.07550 -1.0 2.0
   29    33    41    53   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    55   0.34400  1.0 1.0
   33    38    42    55   0.09450 -1.0 2.0
   33    38    42    55   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    52   0.15000  1.0 3.0
   33    41    53    54  -0.11600  1.0 1.0
   33    41    53    54  -0.09450 -1.0 2.0
   33    41    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    53   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    53   0.86500  1.0 1.0
   38    33    41    53  -0.17500 -1.0 2.0
   38    33    41    53   0.20800  1.0 3.0
   38    42    55    56   0.09850  1.0 1.0
   38    42    55    56   0.15250 -1.0 2.0
   38    42    55    56  -0.50650  1.0 3.0
   38    42    55    58   0.46850  1.0 1.0
   38    42    55    58   0.08550 -1.0 2.0
   38    42    55    58   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    55   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    55   0.15000  1.0 3.0
   42    55    56    57   7.00000 -1.0 2.0
   42    55    56    62   7.00000 -1.0 2.0
   42    55    58    59   0.34800  1.0 3.0
   42    55    58    60   0.34800  1.0 3.0
   42    55    58    61   0.34800  1.0 3.0
   43    42    55    56   0.00000  1.0 1.0
   43    42    55    58   0.34800  1.0 3.0
   44    42    55    56   0.00000  1.0 1.0
   44    42    55    58   0.34800  1.0 3.0
   55    56    62    63   0.00000  1.0 1.0
   55    56    62    64   0.00000  1.0 1.0
   55    56    62    65   0.09850  1.0 1.0
   55    56    62    65   0.15250 -1.0 2.0
   55    56    62    65  -0.50650  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.31000  1.0 1.0
   56    62    65    68   0.14700 -1.0 2.0
   56    62    65    68   0.07550  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.33100  1.0 3.0
   57    56    62    65   0.00000  1.0 1.0
   62    65    68    69   0.09850  1.0 1.0
   62    65    68    69   0.15250 -1.0 2.0
   62    65    68    69  -0.50650  1.0 3.0
   62    65    68    71   0.46850  1.0 1.0
   62    65    68    71   0.08550 -1.0 2.0
   62    65    68    71   0.09800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   7.00000 -1.0 2.0
   65    68    69    75   7.00000 -1.0 2.0
   65    68    71    72   0.34800  1.0 3.0
   65    68    71    73   0.34800  1.0 3.0
   65    68    71    74   0.34800  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    71   0.34800  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    71   0.34800  1.0 3.0
   68    69    75    76   0.00000  1.0 1.0
   68    69    75    77   0.00000  1.0 1.0
   68    69    75    78   0.09850  1.0 1.0
   68    69    75    78   0.15250 -1.0 2.0
   68    69    75    78  -0.50650  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    78    79   0.15000  1.0 3.0
   69    75    78    80   0.15000  1.0 3.0
   69    75    78    81   0.31000  1.0 1.0
   69    75    78    81   0.14700 -1.0 2.0
   69    75    78    81   0.07550  1.0 3.0
   70    69    75    76   0.33100  1.0 3.0
   70    69    75    77   0.33100  1.0 3.0
   70    69    75    78   0.00000  1.0 1.0
   75    78    81    82   0.00000  1.0 1.0
   75    78    81    83   0.09850  1.0 1.0
   75    78    81    83   0.15250 -1.0 2.0
   75    78    81    83  -0.50650  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    83    84   7.00000 -1.0 2.0
   78    81    83    88   7.00000 -1.0 2.0
   79    78    81    82   0.33100  1.0 3.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.33100  1.0 3.0
   80    78    81    83   0.00000  1.0 1.0
   81    83    84    85   0.00000  1.0 1.0
   81    83    84    86   0.00000  1.0 1.0
   81    83    84    87   0.00000  1.0 1.0
   81    83    88    89   0.00000  1.0 1.0
   81    83    88    90   0.00000  1.0 1.0
   81    83    88    91   0.09850  1.0 1.0
   81    83    88    91   0.15250 -1.0 2.0
   81    83    88    91  -0.50650  1.0 3.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    88   7.00000 -1.0 2.0
   83    88    91    92   0.15000  1.0 3.0
   83    88    91    93   0.15000  1.0 3.0
   83    88    91    94   0.31000  1.0 1.0
   83    88    91    94   0.14700 -1.0 2.0
   83    88    91    94   0.07550  1.0 3.0
   84    83    88    89   0.34800  1.0 3.0
   84    83    88    90   0.34800  1.0 3.0
   84    83    88    91   0.46850  1.0 1.0
   84    83    88    91   0.08550 -1.0 2.0
   84    83    88    91   0.09800  1.0 3.0
   88    83    84    85   0.34800  1.0 3.0
   88    83    84    86   0.34800  1.0 3.0
   88    83    84    87   0.34800  1.0 3.0
   88    91    94    95   0.00000  1.0 1.0
   88    91    94    96   0.09850  1.0 1.0
   88    91    94    96   0.15250 -1.0 2.0
   88    91    94    96  -0.50650  1.0 3.0
   89    88    91    92   0.15000  1.0 3.0
   89    88    91    93   0.15000  1.0 3.0
   89    88    91    94   0.15000  1.0 3.0
   90    88    91    92   0.15000  1.0 3.0
   90    88    91    93   0.15000  1.0 3.0
   90    88    91    94   0.15000  1.0 3.0
   91    94    96    97   7.00000 -1.0 2.0
   91    94    96   101   7.00000 -1.0 2.0
   92    91    94    95   0.33100  1.0 3.0
   92    91    94    96   0.00000  1.0 1.0
   93    91    94    95   0.33100  1.0 3.0
   93    91    94    96   0.00000  1.0 1.0
   94    96    97    98   0.00000  1.0 1.0
   94    96    97    99   0.00000  1.0 1.0
   94    96    97   100   0.00000  1.0 1.0
   94    96   101   102   0.00000  1.0 1.0
   94    96   101   103   0.00000  1.0 1.0
   94    96   101   104   0.09850  1.0 1.0
   94    96   101   104   0.15250 -1.0 2.0
   94    96   101   104  -0.50650  1.0 3.0
   95    94    96    97   7.00000 -1.0 2.0
   95    94    96   101   7.00000 -1.0 2.0
   96   101   104   105   0.15000  1.0 3.0
   96   101   104   106   0.15000  1.0 3.0
   96   101   104   107   0.31000  1.0 1.0
   96   101   104   107   0.14700 -1.0 2.0
   96   101   104   107   0.07550  1.0 3.0
   97    96   101   102   0.34800  1.0 3.0
   97    96   101   103   0.34800  1.0 3.0
   97    96   101   104   0.46850  1.0 1.0
   97    96   101   104   0.08550 -1.0 2.0
   97    96   101   104   0.09800  1.0 3.0
  101    96    97    98   0.34800  1.0 3.0
  101    96    97    99   0.34800  1.0 3.0
  101    96    97   100   0.34800  1.0 3.0
  101   104   107   108   0.00000  1.0 1.0
  101   104   107   109   0.09850  1.0 1.0
  101   104   107   109   0.15250 -1.0 2.0
  101   104   107   109  -0.50650  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
  104   107   109   110   7.00000 -1.0 2.0
  104   107   109   114   7.00000 -1.0 2.0
  105   104   107   108   0.33100  1.0 3.0
  105   104   107   109   0.00000  1.0 1.0
  106   104   107   108   0.33100  1.0 3.0
  106   104   107   109   0.00000  1.0 1.0
  107   109   110   111   0.00000  1.0 1.0
  107   109   110   112   0.00000  1.0 1.0
  107   109   110   113   0.00000  1.0 1.0
  107   109   114   115   0.00000  1.0 1.0
  107   109   114   116   0.00000  1.0 1.0
  107   109   114   117   0.00000  1.0 1.0
  108   107   109   110   7.00000 -1.0 2.0
  108   107   109   114   7.00000 -1.0 2.0
  110   109   114   115   0.34800  1.0 3.0
  110   109   114   116   0.34800  1.0 3.0
  110   109   114   117   0.34800  1.0 3.0
  114   109   110   111   0.34800  1.0 3.0
  114   109   110   112   0.34800  1.0 3.0
  114   109   110   113   0.34800  1.0 3.0
   71    68    69    70   7.00000 -1.0 2.0
   71    68    69    75   7.00000 -1.0 2.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   65    71    68    69  15.00000 -1.0 2.0
   75    70    69    68  15.00000 -1.0 2.0
   78    82    81    83  15.00000 -1.0 2.0
   84    88    83    81  15.00000 -1.0 2.0
   91    95    94    96  15.00000 -1.0 2.0
   97   101    96    94  15.00000 -1.0 2.0
  104   108   107   109  15.00000 -1.0 2.0
  110   114   109   107  15.00000 -1.0 2.0
END
