* LIGAND DATABASE FILE (OPLS2005)
*
001     107   108    193    280     558
    1     0 S   NP   _N1_     1    29.82654    89.17976   -19.81187
    2     1 S   H    _HN1     2     1.02957   127.39624     3.16465
    3     1 S   H    _H1_     3     1.02841    37.12247    69.83174
    4     1 S   H    _H2_     4     1.02781    71.73897   -96.23956
    5     1 S   CT   _CA1     5     1.50092   117.91963   157.79504
    6     5 S   HC   _HA1     6     1.09569   105.32356    19.26582
    7     5 S   CO3  _C1_     7     1.53964   112.08757  -101.09564
    8     7 S   O2Z  _O11     8     1.26372   115.06165   -49.79969
    9     7 S   O2Z  _O12     9     1.26218   114.92778   129.29196
   10     5 S   CT   _CB1    10     1.53116   107.42002   137.22224
   11    10 S   HC   HB11    11     1.09814   109.78407   -49.31237
   12    10 S   HC   HB12    12     1.09826   110.24349    67.33460
   13    10 S   CT   _CG1    13     1.52984   112.45330  -170.36642
   14    13 S   HC   HG11    14     1.09509   110.15900   -53.75834
   15    13 S   HC   HG12    15     1.09593   110.27631    65.20803
   16    13 S   C    _CD1    16     1.51812   111.93301  -174.44843
   17    16 S   O    _OE1    17     1.22733   123.11451   -18.72619
   18    16 S   N    _N2_    18     1.38452   111.75143   161.62336
   19    18 S   H    _HN2    19     1.01719   118.95670     0.78285
   20    18 S   CT1  _CA2    20     1.46062   123.76333  -173.77241
   21    20 S   HC   _HA2    21     1.09685   109.44953    -9.46087
   22    20 S   C    _C2_    22     1.53311   108.31933  -125.85404
   23    22 S   O    _O2_    23     1.23036   122.19495  -145.67163
   24    20 S   CT   _CB2    32     1.53661   111.25015   112.44348
   25    24 S   HC   HB21    33     1.09423   109.87737    63.33685
   26    24 S   HC   HB22    34     1.09555   110.15354  -179.26432
   27    22 S   N    _N3_    24     1.38461   113.52730    41.24390
   28    27 S   H    _HN3    25     1.01524   118.91596    -0.15577
   29    24 S   S    _SG2    35     1.83044   112.27745   -59.81293
   30    27 S   CT   _CA3    26     1.45412   123.30350   176.19368
   31    30 S   HC   HA31    27     1.09540   109.03424    27.90087
   32    30 S   HC   HA32    28     1.09495   107.15425   144.77872
   33    29 S   CT   _C26    36     1.83220   100.54250   139.50181
   34    33 S   HC   _H27    37     1.09435   109.90175    20.56669
   35    33 S   HC   _H28    38     1.09507   104.81294   136.10678
   36    30 S   CO3  _C3_    29     1.52899   113.24423   -95.51736
   37    36 S   O2Z  _O31    30     1.26390   115.42658   -44.88697
   38    36 S   O2Z  _O32    31     1.26362   114.96412   136.08383
   39    33 S   CT   _C24    39     1.53041   112.63829  -105.27067
   40    39 S   HC   _H7_    40     1.09939   109.54493   -39.85809
   41    39 S   CO4  _C25    41     1.50654   114.88999    79.50339
   42    41 S   O    _O39    42     1.21894   126.74437   -32.59893
   43    41 S   OS   _O40    43     1.36107   109.88148   150.49719
   44    43 S   CT   _C22    44     1.43477   110.85625    -7.81253
   45    44 S   HC   _H5_    45     1.08562   104.88881  -130.64281
   46    44 S   CM   _C21    46     1.50840   109.03193   109.90837
   47    46 S   HC   _H26    47     1.09007   114.10986   -57.35821
   48    39 S   CT   _C23    62     1.54538   115.76347  -161.64053
   49    48 S   HC   _H6_    63     1.09809   108.13171    87.16169
   50    46 S   CM   _C20    48     1.35219   128.32093   124.94806
   51    50 S   CT   _C19    49     1.52888   127.05209    -3.98108
   52    51 S   HC   _H4_    50     1.09868   107.14473  -157.16884
   53    50 S   CT   _C27   104     1.50962   119.08570   176.81322
   54    53 S   HC   _H29   105     1.09498   110.25930   117.68375
   55    53 S   HC   _H30   106     1.09511   112.59650    -2.46434
   56    53 S   HC   _H31   107     1.09500   110.14537  -122.43661
   57    51 S   CT   _C18    51     1.55031   114.98180    83.54711
   58    57 S   HC   _H24    52     1.09467   110.41223  -174.11137
   59    57 S   HC   _H25    53     1.09766   108.90023    69.96723
   60    51 S   OS   _O41    97     1.44658   109.25038   -41.87064
   61    57 S   CM   _C17    54     1.50365   113.51456   -49.61924
   62    61 S   HC   _H23    55     1.08988   113.85085    86.92435
   63    60 S   CO4  _C28    98     1.36124   118.22097  -150.53886
   64    63 S   O    _O42    99     1.22296   126.47850    -1.41389
   65    61 S   CM   _C16    56     1.34759   127.69035   -85.36588
   66    63 S   CT   _C29   100     1.49885   109.36396   178.76933
   67    66 S   HC   _H32   101     1.09298   109.82425   -60.45246
   68    66 S   HC   _H33   102     1.09372   109.35954  -179.48111
   69    66 S   HC   _H34   103     1.09276   109.91084    61.39573
   70    65 S   CT   _C15    57     1.51489   119.25624   168.03661
   71    70 S   HC   _H21    58     1.09866   109.16301    32.58447
   72    70 S   HC   _H22    59     1.09708   108.35087   146.80969
   73    65 S   CT   _C30    93     1.50262   124.94212    -8.61117
   74    73 S   HC   _H35    94     1.09329   110.74616   112.08490
   75    73 S   HC   _H36    95     1.09210   113.13920    -8.93184
   76    73 S   HC   _H37    96     1.09518   110.03444  -128.21968
   77    70 S   CT   _C14    60     1.55692   115.94056   -89.46939
   78    77 S   HC   _H3_    61     1.09556   105.02262   175.44775
   79    77 S   OS   _O38    64     1.44332   111.17737   -67.40656
   80    79 S   CO4  _C13    65     1.35823   118.26306   -79.24312
   81    80 S   O    _O37    66     1.22275   125.50638    -0.72118
   82    80 S   CM   _C10    67     1.49594   109.92030   179.24853
   83    82 S   CM   _C11    68     1.34804   115.82662  -175.65923
   84    83 S   HC   _H17    69     1.08932   119.51849     0.82258
   85    82 S   CT   _C9_    75     1.50437   119.72560     3.42039
   86    85 S   HC   _H15    76     1.09591   111.75827   -34.54956
   87    85 S   HC   _H16    77     1.09563   111.33418  -153.44744
   88    83 S   CT   _C12    70     1.49685   126.89313  -178.04846
   89    88 S   HC   _H18    71     1.09202   113.41167     9.59075
   90    88 S   HC   _H19    72     1.09423   109.76421  -112.70546
   91    85 S   OS   _O35    78     1.43521   108.03860    86.18607
   92    88 S   OH   _O36    73     1.42235   108.26015   129.09990
   93    92 S   HO   _H20    74     0.97236   107.00600   179.23921
   94    91 S   CO4  _C8_    79     1.35983   115.71370   175.37509
   95    94 S   O    _O34    80     1.22274   125.94162     3.08293
   96    94 S   CM   _C6_    81     1.49368   109.47929  -176.86213
   97    96 S   CM   _C5_    82     1.34660   115.30058  -150.63770
   98    97 S   HC   _H11    83     1.08976   119.07562     0.05234
   99    96 S   CT   _C7_    88     1.50075   118.23959    28.58252
  100    99 S   HC   _H12    89     1.09493   110.76103   -60.72281
  101    99 S   HC   _H13    90     1.09118   113.02544   178.62314
  102    97 S   CT   _C4_    84     1.49520   127.70343   179.05498
  103   102 S   HC   _H8_    85     1.09456   109.54634  -119.85779
  104   102 S   HC   _H9_    86     1.09454   109.57627   121.75268
  105   102 S   HC   _H10    87     1.09072   113.96595     0.94440
  106    99 S   OH   _O33    91     1.42339   109.27675    59.10807
  107   106 S   HO   _H14    92     0.97265   106.84851  -177.96135
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4
  10   3   2   1   1  10   5   4   4   2   1   1   5   2   5   9
   3  11  10   5   7   3   2   4   3   2   5   1   1   9   3  11
   9   5   5   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    77    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    70    77    78    48    49    79  
   41    42    43    44    77    48    49  
   42    43    44    45    46    77    48    49  
   43    44    48  
   44    45    46    47    50    77    48    49  
   45    46    47    50    51    70    77    78    48    49    79    53  
   46    47    50    77    48    49  
   47    50    51    52    57    77    48    49    60    53    54    55    56  
   50    51    48    53  
   49    79    80    50    65    70    71    72    77    78  
   79    70    77    78  
   51    52    57    58    59    61    60    63    53    54    55    56  
   52    57    58    59    61    62    65    60    63    64    66    53    54    55    56  
   57    58    59    61    60    63    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    61    62    65    70    73    60    63  
   59    61    62    65    60  
   61    62    65    60  
   63    64    66    67    68    69    61  
   62    65    70    71    72    77    73    74    75    76  
   65    70    73  
   64    66    67    68    69  
   66    67    68    69  
   70    71    72    77    78    79    73    74    75    76  
   67    68    69  
   68    69  
   69  
    0  
   71    72    77    78    79    80    73    74    75    76  
   72    77    78    79    73  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82  
   79    80  
   80    81    82    83    85  
   81    82    83    84    88    85    86    87    91  
   82    83    85  
   83    84    88    89    90    92    85    86    87    91    94  
   84    88    89    90    92    93    85    86    87    91  
   88    89    90    92    85  
   86    87    91    94    95    96    88  
   87    91    94  
   91    94  
   89    90    92    93  
   90    92    93  
   92    93  
   94    95    96    97    99  
   93  
    0  
   95    96    97    98   102    99   100   101   106  
   96    97    99  
   97    98   102   103   104   105    99   100   101   106   107  
   98   102   103   104   105    99   100   101   106  
  102   103   104   105    99  
  100   101   106   107   102  
  101   106   107  
  106   107  
  103   104   105  
  104   105  
  105  
    0  
  107  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    70   317.000  1.510
   65    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    48   268.000  1.529
   77    79   320.000  1.410
   48    49   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   549.000  1.340
   82    85   317.000  1.510
   83    84   340.000  1.080
   83    88   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    92   320.000  1.410
   92    93   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    91   320.000  1.410
   91    94   214.000  1.327
   94    95   570.000  1.229
   94    96   320.000  1.462
   96    97   549.000  1.340
   96    99   317.000  1.510
   97    98   340.000  1.080
   97   102   317.000  1.510
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   106   320.000  1.410
  106   107   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    77    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    77    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    85.00000  110.90400
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    70.00000  112.02700
   51    60    63    83.00000  116.90000
   57    51    52    37.50000  110.70000
   57    61    62    35.00000  117.00000
   57    61    65    70.00000  124.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    65    70    70.00000  124.00000
   61    65    73    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    77    70.00000  112.02700
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   70    77    78    37.50000  110.70000
   70    77    48    58.35000  112.70000
   70    77    79    50.00000  109.50000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    48    49    37.50000  110.70000
   77    79    80    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    77    78    37.50000  110.70000
   79    77    78    35.00000  109.50000
   79    77    48    50.00000  109.50000
   79    80    81    83.00000  123.40000
   79    80    82    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    85    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    88    70.00000  124.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    91    85.00000  110.90400
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    92    90.00000  110.39200
   88    83    84    35.00000  117.00000
   88    92    93    55.00000  108.50000
   90    88    89    33.00000  107.80000
   92    88    89    35.00000  109.50000
   92    88    90    35.00000  109.50000
   85    82    83    70.00000  124.00000
   85    91    94    83.00000  116.90000
   87    85    86    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    87    35.00000  109.50000
   91    94    95    83.00000  123.40000
   91    94    96    90.00000  111.29400
   94    96    97    65.00000  118.96000
   94    96    99    65.00000  116.34900
   96    94    95    80.00000  123.72100
   96    97    98    35.00000  120.00000
   96    97   102    70.00000  124.00000
   96    99   100    35.00000  109.50000
   96    99   101    35.00000  109.50000
   96    99   106    90.00000  110.39200
   97   102   103    35.00000  109.50000
   97   102   104    35.00000  109.50000
   97   102   105    35.00000  109.50000
  102    97    98    35.00000  117.00000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   99    96    97    70.00000  124.00000
   99   106   107    55.00000  108.50000
  101    99   100    33.00000  107.80000
  106    99   100    35.00000  109.50000
  106    99   101    35.00000  109.50000
   73    65    70    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   66    63    64    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    77   0.56750  1.0 1.0
   33    39    48    77  -0.07550 -1.0 2.0
   33    39    48    77   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    77   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    77  -0.95700  1.0 1.0
   41    39    48    77  -0.18200 -1.0 2.0
   41    39    48    77   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    77   0.62750  1.0 1.0
   43    44    48    77  -0.30950 -1.0 2.0
   43    44    48    77   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    77   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    77   0.34400  1.0 1.0
   46    44    48    77   0.09450 -1.0 2.0
   46    44    48    77   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.39000  1.0 1.0
   46    50    51    60  -0.05800 -1.0 2.0
   46    50    51    60  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    61   0.31000  1.0 1.0
   50    51    57    61   0.14700 -1.0 2.0
   50    51    57    61   0.07550  1.0 3.0
   50    51    60    63  -0.82050  1.0 1.0
   50    51    60    63   0.00600 -1.0 2.0
   50    51    60    63   0.04400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    65   0.09850  1.0 1.0
   51    57    61    65   0.15250 -1.0 2.0
   51    57    61    65  -0.50650  1.0 3.0
   51    60    63    64   3.00000 -1.0 2.0
   51    60    63    66   1.63150  1.0 1.0
   51    60    63    66   2.92000 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    60    63   0.08050  1.0 3.0
   57    51    60    63  -0.25900  1.0 1.0
   57    51    60    63  -0.47000 -1.0 2.0
   57    51    60    63   0.11750  1.0 3.0
   57    61    65    70   7.00000 -1.0 2.0
   57    61    65    73   7.00000 -1.0 2.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   59    57    61    62   0.33100  1.0 3.0
   59    57    61    65   0.00000  1.0 1.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    72   0.00000  1.0 1.0
   61    65    70    77   0.09850  1.0 1.0
   61    65    70    77   0.15250 -1.0 2.0
   61    65    70    77  -0.50650  1.0 3.0
   61    65    73    74   0.00000  1.0 1.0
   61    65    73    75   0.00000  1.0 1.0
   61    65    73    76   0.00000  1.0 1.0
   62    61    65    70   7.00000 -1.0 2.0
   62    61    65    73   7.00000 -1.0 2.0
   65    70    77    78   0.15000  1.0 3.0
   65    70    77    48   0.34400  1.0 1.0
   65    70    77    48   0.09450 -1.0 2.0
   65    70    77    48   0.11100  1.0 3.0
   65    70    77    79   0.61850  1.0 1.0
   65    70    77    79  -0.22750 -1.0 2.0
   65    70    77    79   0.15300  1.0 3.0
   70    65    73    74   0.34800  1.0 3.0
   70    65    73    75   0.34800  1.0 3.0
   70    65    73    76   0.34800  1.0 3.0
   70    77    48    39   0.56750  1.0 1.0
   70    77    48    39  -0.07550 -1.0 2.0
   70    77    48    39   0.20000  1.0 3.0
   70    77    48    44   0.56750  1.0 1.0
   70    77    48    44  -0.07550 -1.0 2.0
   70    77    48    44   0.20000  1.0 3.0
   70    77    48    49   0.15000  1.0 3.0
   70    77    79    80  -0.25900  1.0 1.0
   70    77    79    80  -0.47000 -1.0 2.0
   70    77    79    80   0.11750  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    48   0.15000  1.0 3.0
   71    70    77    79   0.23400  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    48   0.15000  1.0 3.0
   72    70    77    79   0.23400  1.0 3.0
   77    79    80    81   3.00000 -1.0 2.0
   77    79    80    82   2.00000 -1.0 2.0
   78    77    48    39   0.15000  1.0 3.0
   78    77    48    44   0.15000  1.0 3.0
   78    77    48    49   0.15000  1.0 3.0
   78    77    79    80   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    77    79    80  -0.25900  1.0 1.0
   48    77    79    80  -0.47000 -1.0 2.0
   48    77    79    80   0.11750  1.0 3.0
   79    77    48    39   0.62750  1.0 1.0
   79    77    48    39  -0.30950 -1.0 2.0
   79    77    48    39   0.27300  1.0 3.0
   79    77    48    44   0.62750  1.0 1.0
   79    77    48    44  -0.30950 -1.0 2.0
   79    77    48    44   0.27300  1.0 3.0
   79    77    48    49   0.23400  1.0 3.0
   79    80    82    83  -0.56150  1.0 1.0
   79    80    82    83   2.19150 -1.0 2.0
   79    80    82    85  -0.15000  1.0 1.0
   79    80    82    85   0.89550 -1.0 2.0
   79    80    82    85  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    88   7.00000 -1.0 2.0
   80    82    85    86   0.15000  1.0 3.0
   80    82    85    87   0.15000  1.0 3.0
   80    82    85    91   0.09700  1.0 1.0
   80    82    85    91   0.15600 -1.0 2.0
   80    82    85    91  -0.50800  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    85  -0.64400  1.0 1.0
   81    80    82    85   0.26850 -1.0 2.0
   82    83    88    89   0.00000  1.0 1.0
   82    83    88    90   0.00000  1.0 1.0
   82    83    88    92   0.67800  1.0 1.0
   82    83    88    92   0.47050 -1.0 2.0
   82    83    88    92  -0.62500  1.0 3.0
   82    85    91    94  -0.82050  1.0 1.0
   82    85    91    94   0.00600 -1.0 2.0
   82    85    91    94   0.04400  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    91   0.39000  1.0 1.0
   83    82    85    91  -0.05800 -1.0 2.0
   83    82    85    91  -0.55150  1.0 3.0
   83    88    92    93  -0.07800  1.0 1.0
   83    88    92    93  -0.21500 -1.0 2.0
   83    88    92    93  -0.03150  1.0 3.0
   84    83    88    89   0.33100  1.0 3.0
   84    83    88    90   0.33100  1.0 3.0
   84    83    88    92   0.00000  1.0 1.0
   89    88    92    93   0.19450  1.0 3.0
   90    88    92    93   0.19450  1.0 3.0
   85    82    83    84   7.00000 -1.0 2.0
   85    82    83    88   7.00000 -1.0 2.0
   85    91    94    95   3.00000 -1.0 2.0
   85    91    94    96   2.00000 -1.0 2.0
   86    85    91    94   0.08050  1.0 3.0
   87    85    91    94   0.08050  1.0 3.0
   91    94    96    97  -0.56150  1.0 1.0
   91    94    96    97   2.19150 -1.0 2.0
   91    94    96    99  -0.15000  1.0 1.0
   91    94    96    99   0.89550 -1.0 2.0
   91    94    96    99  -0.06900  1.0 3.0
   94    96    97    98   7.00000 -1.0 2.0
   94    96    97   102   7.00000 -1.0 2.0
   94    96    99   100   0.15000  1.0 3.0
   94    96    99   101   0.15000  1.0 3.0
   94    96    99   106   0.09700  1.0 1.0
   94    96    99   106   0.15600 -1.0 2.0
   94    96    99   106  -0.50800  1.0 3.0
   95    94    96    97   1.00000 -1.0 2.0
   95    94    96    99  -0.64400  1.0 1.0
   95    94    96    99   0.26850 -1.0 2.0
   96    97   102   103   0.00000  1.0 1.0
   96    97   102   104   0.00000  1.0 1.0
   96    97   102   105   0.00000  1.0 1.0
   96    99   106   107  -0.07800  1.0 1.0
   96    99   106   107  -0.21500 -1.0 2.0
   96    99   106   107  -0.03150  1.0 3.0
   97    96    99   100   0.00000  1.0 1.0
   97    96    99   101   0.00000  1.0 1.0
   97    96    99   106   0.67800  1.0 1.0
   97    96    99   106   0.47050 -1.0 2.0
   97    96    99   106  -0.62500  1.0 3.0
   98    97   102   103   0.33100  1.0 3.0
   98    97   102   104   0.33100  1.0 3.0
   98    97   102   105   0.33100  1.0 3.0
   99    96    97    98   7.00000 -1.0 2.0
   99    96    97   102   7.00000 -1.0 2.0
  100    99   106   107   0.19450  1.0 3.0
  101    99   106   107   0.19450  1.0 3.0
   73    65    70    71   0.34800  1.0 3.0
   73    65    70    72   0.34800  1.0 3.0
   73    65    70    77   0.46850  1.0 1.0
   73    65    70    77   0.08550 -1.0 2.0
   73    65    70    77   0.09800  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    61   0.61850  1.0 1.0
   60    51    57    61  -0.22750 -1.0 2.0
   60    51    57    61   0.15300  1.0 3.0
   60    63    66    67   0.00000  1.0 1.0
   60    63    66    68   0.00000  1.0 1.0
   60    63    66    69   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.09700  1.0 1.0
   53    50    51    60   0.15600 -1.0 2.0
   53    50    51    60  -0.50800  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   57    62    61    65   1.10000 -1.0 2.0
   70    73    65    61   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    85    82    83  15.00000 -1.0 2.0
   88    84    83    82  15.00000 -1.0 2.0
   91    96    94    95  10.50000 -1.0 2.0
   94    99    96    97  15.00000 -1.0 2.0
  102    98    97    96  15.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
END
