* LIGAND DATABASE FILE (OPLS2005)
*
001     105   108    199    304     574
    1     0 S   NP   _N1_     1    28.90501    95.40406   -24.84608
    2     1 S   H    _HN1     2     1.02828    29.84911  -179.27855
    3     1 S   H    _H1_     3     1.02786   113.25267   -93.69116
    4     1 S   H    _H2_     4     1.02951    77.71669    11.22469
    5     1 S   CT   _CA1     5     1.50115   127.83369   117.63600
    6     5 S   HC   _HA1     6     1.09575   105.19609    87.55415
    7     5 S   CO3  _C1_     7     1.53787   112.46223   -32.67018
    8     7 S   O2Z  _O11     8     1.26372   115.00305   -42.52721
    9     7 S   O2Z  _O12     9     1.26242   114.94618   136.60000
   10     5 S   CT   _CB1    10     1.53080   107.41719  -154.47374
   11    10 S   HC   HB11    11     1.09834   109.35507   -49.86133
   12    10 S   HC   HB12    12     1.09814   110.45354    66.73868
   13    10 S   CT   _CG1    13     1.52990   112.61283  -170.84826
   14    13 S   HC   HG11    14     1.09583   110.62163   -65.79614
   15    13 S   HC   HG12    15     1.09672   109.78916    53.43292
   16    13 S   C    _CD1    16     1.51805   112.23565   173.86995
   17    16 S   O    _OE1    17     1.22730   123.28813     6.64482
   18    16 S   N    _N2_    18     1.38656   111.66182  -173.39571
   19    18 S   H    _HN2    19     1.01577   118.93458     1.62919
   20    18 S   CT1  _CA2    20     1.46201   123.39792   177.36842
   21    20 S   HC   _HA2    21     1.09737   109.37144     2.82895
   22    20 S   C    _C2_    22     1.53556   108.57149  -112.64782
   23    22 S   O    _O2_    23     1.23059   122.29413  -147.59094
   24    20 S   CT   _CB2    32     1.53340   111.60454   124.87520
   25    24 S   HC   HB21    33     1.09488   109.98621    56.36516
   26    24 S   HC   HB22    34     1.09515   110.06306   175.40347
   27    22 S   N    _N3_    24     1.38333   113.70445    39.82792
   28    27 S   H    _HN3    25     1.01583   119.59708    -3.25756
   29    24 S   S    _SG2    35     1.82752   111.47520   -64.89235
   30    27 S   CT   _CA3    26     1.45285   123.20679   177.14679
   31    30 S   HC   HA31    27     1.09550   107.50364   -64.73679
   32    30 S   HC   HA32    28     1.09557   107.99315    51.70070
   33    29 S   CT   _C30    36     1.84293    99.76406  -176.32406
   34    33 S   HC   _H3_    37     1.09676   107.40755    38.81379
   35    30 S   CO3  _C3_    29     1.52961   114.08464   173.70593
   36    35 S   O2Z  _O31    30     1.26376   116.07204    -0.67984
   37    35 S   O2Z  _O32    31     1.26429   114.41020   179.38134
   38    33 S   CT   _C26    38     1.53117   109.49435   -77.83748
   39    38 S   HC   _H62    39     1.09477   112.46250   -58.60931
   40    38 S   HC   _H63    40     1.09579   110.35775  -178.72374
   41    38 S   HC   _H64    41     1.09477   111.56984    62.78960
   42    33 S   CT   _C29    42     1.55420   112.63500   157.84123
   43    42 S   HC   _H69    43     1.09977   107.24463   171.91546
   44    42 S   CO4  _C13    44     1.53091   110.69105   -74.47999
   45    44 S   O    _O33    45     1.22386   125.02294     2.00516
   46    42 S   CT   _C28    88     1.53824   114.27735    50.44837
   47    46 S   HC   _H67    89     1.09427   111.48430    33.86988
   48    46 S   HC   _H68    90     1.09669   111.16339   -88.48189
   49    44 S   OS   _O39    46     1.36642   109.95906  -176.21825
   50    46 S   OS   _O37    91     1.44134   108.40418   151.48320
   51    49 S   CT   _C21    47     1.44681   117.60999  -178.51562
   52    51 S   HC   _H52    48     1.09795   108.89670    30.52752
   53    50 S   CO4  _C11    92     1.35919   115.92385   173.62105
   54    53 S   O    _O29    93     1.22238   126.02939    -2.69174
   55    51 S   CT   _C14    49     1.53308   109.22959   -86.40944
   56    55 S   HC   _H43    50     1.09765   109.06310    51.42936
   57    55 S   HC   _H44    51     1.09694   109.19276   166.89661
   58    51 S   CT   _C18    68     1.53910   109.25216   148.20264
   59    58 S   HC   _H49    69     1.09879   109.19553   179.98022
   60    53 S   CM   _C10    94     1.49299   109.34474   177.34775
   61    55 S   C3T  _C22    52     1.51328   114.00046   -70.93260
   62    58 S   CM   _C6_    70     1.49705   115.26559   -59.37446
   63    60 S   CM   _C9_    95     1.34631   115.26918   151.58436
   64    63 S   HC   _H42    96     1.08988   119.09829    -0.36045
   65    60 S   CT   _C27   101     1.50084   118.21738   -28.42193
   66    65 S   HC   _H65   102     1.09152   113.02278  -178.51813
   67    65 S   HC   _H66   103     1.09532   110.77538    60.90520
   68    61 S   C3T  _C15    53     1.52113   119.24583    80.03633
   69    68 S   HC   _H45    54     1.08095   120.13730  -156.25777
   70    68 S   HC   _H46    55     1.08262   119.10012    -7.39648
   71    61 S   CT   _C19    57     1.52781   115.43949   -80.01994
   72    71 S   HC   _H50    58     1.09844   106.73943   -31.18304
   73    62 S   CO4  _C7_    71     1.47485   108.71076   146.82727
   74    73 S   O    _O28    72     1.21721   127.24480   168.90190
   75    62 S   CM   _C8_    74     1.33640   130.39742   -31.50849
   76    75 S   HC   _H40    75     1.08430   121.50122    -1.21128
   77    75 S   HC   _H41    76     1.08560   121.61160   178.85005
   78    63 S   CT   _C24    97     1.49504   127.81247  -179.60336
   79    78 S   HC   _H56    98     1.09456   109.57282  -121.92015
   80    78 S   HC   _H57    99     1.09471   109.52360   119.69337
   81    78 S   HC   _H58   100     1.09104   113.96290    -1.11715
   82    65 S   OH   _O36   104     1.42303   109.27646   -58.98654
   83    82 S   HO   _H71   105     0.97235   107.04311   178.75040
   84    61 S   O3T  _O35    56     1.43568   111.57117   144.13905
   85    71 S   CT   _C16    59     1.54922   119.31402  -152.29384
   86    85 S   HC   _H47    60     1.09975   110.40761   152.81073
   87   104 S   OS   _O34    73     1.44687   107.73634  -166.30728
   88    85 S   CM   _C4_    61     1.49391   102.61711   -93.86886
   89    88 S   HC   _H39    62     1.08094   123.75227   164.07120
   90    85 S   OS   _O38    81     1.42412   116.76034    27.66139
   91    88 S   CM   _C5_    63     1.34002   111.20863   -20.91188
   92    90 S   CO4  _C12    82     1.36432   115.97173    78.75152
   93    92 S   O    _O30    83     1.22341   126.34087    -0.68813
   94    71 S   CT   _C17    64     1.55711   111.93032    87.54483
   95    94 S   HC   _H48    65     1.10070   108.83196  -148.63459
   96    91 S   CT   _C23    77     1.48733   125.32023  -174.44057
   97    96 S   HC   _H53    78     1.09427   110.51701   120.40186
   98    96 S   HC   _H54    79     1.09508   111.59253     0.65402
   99    96 S   HC   _H55    80     1.09232   110.61428  -119.04347
  100    92 S   CT   _C25    84     1.49845   109.53880   179.43664
  101   100 S   HC   _H59    85     1.09288   109.82698   -60.56771
  102   100 S   HC   _H60    86     1.09378   109.34414  -179.56840
  103   100 S   HC   _H61    87     1.09281   109.88246    61.36039
  104    94 S   CT   _C20    66     1.53793   116.25769   -26.04666
  105   104 S   HC   _H51    67     1.09698   110.71026    77.54090
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   7   3   2
  10   5  17   8   9   3  15   6   5  15   7  11  14   9   9   5
   5   3   2   7   3   2  15   9   8   3   4   1   1   3   2   1
   1   1   1   2  12   6   5  11   4   8   8   5   4   7   3   4
   2   1   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    51    46    47    48    50    53  
   44    45    49    46    47    48    50  
   45    49    51    52    55    58    46    47    48    50  
   49    51    46  
   47    48    50    53    54    60    49  
   48    50    53  
   50    53  
   51    52    55    56    57    61   104    58    59    62  
   53    54    60    63    65  
   52    55    56    57    61    68    84    71    94   104   105    58    59    62    73    87    75  
   55    56    57    61   104    58    59    62  
   54    60    63    64    78    65    66    67    82  
   60    63    65  
   56    57    61    68    69    70    84    71    72    85    94   104    58    59    62  
   57    61    68    84    71    58  
   61    68    84    71    58  
   59    62    73    74    87    75    76    77    61    71    91    94    95   104   105  
   62    73    87    75    94   104   105  
   63    64    78    79    80    81    65    66    67    82    83  
   68    69    70    84    71    72    85    86    88    91    94    95   104    90  
   73    74    87    75    76    77    94   104   105  
   64    78    79    80    81    65    66    67    82  
   78    79    80    81    65  
   66    67    82    83    78  
   67    82    83  
   82    83  
   69    70    84    71    72    85    94  
   70    84    71  
   84    71  
   72    85    86    88    89    91    94    95   104   105    87    96    90    92    84  
   85    86    88    91    94    95   104    90    84  
   74    87    75    76    77    94   104   105  
   87    75   104  
   76    77    87   104  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83  
    0  
   85    94  
   86    88    89    91    94    95   104    96    90    92    93   100  
   88    89    91    94    90    92  
   91    94    95   104   105  
   89    91    94    95   104    96    97    98    99    90    92  
   91    94    96    90  
   92    93   100   101   102   103    91    94  
   94    95   104   105    96    97    98    99  
   93   100   101   102   103  
  100   101   102   103  
   95   104   105    96    97    98    99  
  104   105    96  
   97    98    99   104  
   98    99  
   99  
    0  
  101   102   103  
  102   103  
  103  
    0  
  105  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   275.000  1.510
   61    68   260.000  1.509
   61    84   335.000  1.432
   61    71   275.000  1.510
   68    69   340.000  1.088
   68    70   340.000  1.088
   68    84   335.000  1.432
   71    72   340.000  1.090
   71    85   268.000  1.529
   71    94   268.000  1.529
   85    86   340.000  1.090
   85    88   317.000  1.510
   85    90   320.000  1.410
   88    89   340.000  1.080
   88    91   549.000  1.340
   91    94   317.000  1.510
   91    96   317.000  1.510
   94    95   340.000  1.090
   94   104   268.000  1.529
  104   105   340.000  1.090
  104    58   268.000  1.529
  104    87   320.000  1.410
   58    59   340.000  1.090
   58    62   317.000  1.510
   62    73   320.000  1.462
   62    75   549.000  1.340
   73    74   570.000  1.229
   73    87   214.000  1.327
   75    76   340.000  1.080
   75    77   340.000  1.080
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   90    92   214.000  1.327
   92    93   570.000  1.229
   92   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    63   549.000  1.340
   60    65   317.000  1.510
   63    64   340.000  1.080
   63    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    82   320.000  1.410
   82    83   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    51    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    51    52    35.00000  109.50000
   49    51    55    50.00000  109.50000
   49    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    70.00000  112.37300
   51    58   104    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    62    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    61    68    60.00000  120.94000
   55    61    84    80.00000  116.47100
   55    61    71    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    45.00000  109.38400
   61    55    57    45.00000  109.38400
   61    68    69    37.50000  117.20000
   61    68    70    37.50000  117.20000
   61    68    84    15.00000   60.43100
   61    84    68    15.00000   59.14900
   61    71    72    45.00000  109.38400
   61    71    85    70.00000  112.37300
   61    71    94    70.00000  112.37300
   70    68    69    35.00000  114.30000
   84    61    68    15.00000   60.43100
   84    68    69    50.00000  114.27700
   84    68    70    50.00000  114.27700
   71    61    68    60.00000  120.94000
   71    61    84    80.00000  116.47100
   71    85    86    37.50000  110.70000
   71    85    88    70.00000  112.02700
   71    85    90    50.00000  109.50000
   71    94    91    70.00000  112.02700
   71    94    95    37.50000  110.70000
   71    94   104    58.35000  112.70000
   85    71    72    37.50000  110.70000
   85    88    89    35.00000  117.00000
   85    88    91    70.00000  124.00000
   85    90    92    83.00000  116.90000
   88    85    86    35.00000  109.50000
   88    91    94    70.00000  124.00000
   88    91    96    70.00000  124.00000
   91    88    89    35.00000  120.00000
   91    94    95    35.00000  109.50000
   91    94   104    70.00000  112.02700
   91    96    97    35.00000  109.50000
   91    96    98    35.00000  109.50000
   91    96    99    35.00000  109.50000
   94    71    72    37.50000  110.70000
   94    71    85    58.35000  112.70000
   94   104   105    37.50000  110.70000
   94   104    58    58.35000  112.70000
   94   104    87    50.00000  109.50000
  104    94    95    37.50000  110.70000
  104    58    59    37.50000  110.70000
  104    58    62    70.00000  112.02700
  104    87    73    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58   104   105    37.50000  110.70000
   58    62    73    65.00000  116.34900
   58    62    75    70.00000  124.00000
   62    58    59    35.00000  109.50000
   62    73    74    80.00000  123.72100
   62    73    87    90.00000  111.29400
   62    75    76    35.00000  120.00000
   62    75    77    35.00000  120.00000
   87   104   105    35.00000  109.50000
   87   104    58    50.00000  109.50000
   87    73    74    83.00000  123.40000
   75    62    73    65.00000  118.96000
   77    75    76    35.00000  117.00000
   96    91    94    65.00000  117.92700
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   90    85    86    35.00000  109.50000
   90    85    88    85.00000  110.90400
   90    92    93    83.00000  123.40000
   90    92   100    81.00000  111.40000
   92   100   101    35.00000  109.50000
   92   100   102    35.00000  109.50000
   92   100   103    35.00000  109.50000
  100    92    93    80.00000  120.40000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    53    83.00000  116.90000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    53    54    83.00000  123.40000
   50    53    60    90.00000  111.29400
   53    60    63    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    63    64    35.00000  120.00000
   60    63    78    70.00000  124.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    82    90.00000  110.39200
   63    78    79    35.00000  109.50000
   63    78    80    35.00000  109.50000
   63    78    81    35.00000  109.50000
   78    63    64    35.00000  117.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   65    60    63    70.00000  124.00000
   65    82    83    55.00000  108.50000
   67    65    66    33.00000  107.80000
   82    65    66    35.00000  109.50000
   82    65    67    35.00000  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.62750  1.0 1.0
   33    42    46    50  -0.30950 -1.0 2.0
   33    42    46    50   0.27300  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    51   1.63150  1.0 1.0
   42    44    49    51   2.92000 -1.0 2.0
   42    46    50    53  -0.25900  1.0 1.0
   42    46    50    53  -0.47000 -1.0 2.0
   42    46    50    53   0.11750  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    51    52   0.08050  1.0 3.0
   44    49    51    55  -0.25900  1.0 1.0
   44    49    51    55  -0.47000 -1.0 2.0
   44    49    51    55   0.11750  1.0 3.0
   44    49    51    58  -0.25900  1.0 1.0
   44    49    51    58  -0.47000 -1.0 2.0
   44    49    51    58   0.11750  1.0 3.0
   45    44    49    51   3.00000 -1.0 2.0
   49    51    55    56   0.23400  1.0 3.0
   49    51    55    57   0.23400  1.0 3.0
   49    51    55    61  -0.26800  1.0 1.0
   49    51    55    61   0.69150 -1.0 2.0
   49    51    55    61  -0.48750  1.0 3.0
   49    51    58   104   0.62750  1.0 1.0
   49    51    58   104  -0.30950 -1.0 2.0
   49    51    58   104   0.27300  1.0 3.0
   49    51    58    59   0.23400  1.0 3.0
   49    51    58    62   0.61850  1.0 1.0
   49    51    58    62  -0.22750 -1.0 2.0
   49    51    58    62   0.15300  1.0 3.0
   51    55    61    68   0.07850  1.0 1.0
   51    55    61    68  -0.03950 -1.0 2.0
   51    55    61    68   0.67350  1.0 3.0
   51    55    61    84   0.02550  1.0 1.0
   51    55    61    84  -0.02600 -1.0 2.0
   51    55    61    84   1.20400  1.0 3.0
   51    55    61    71   0.56750  1.0 1.0
   51    55    61    71  -0.07550 -1.0 2.0
   51    55    61    71   0.20000  1.0 3.0
   51    58    62    73   0.09700  1.0 1.0
   51    58    62    73   0.15600 -1.0 2.0
   51    58    62    73  -0.50800  1.0 3.0
   51    58    62    75   0.09850  1.0 1.0
   51    58    62    75   0.15250 -1.0 2.0
   51    58    62    75  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    58   104   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   55    51    58   104   0.56750  1.0 1.0
   55    51    58   104  -0.07550 -1.0 2.0
   55    51    58   104   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    62   0.34400  1.0 1.0
   55    51    58    62   0.09450 -1.0 2.0
   55    51    58    62   0.11100  1.0 3.0
   55    61    68    69   0.15000  1.0 3.0
   55    61    68    70   0.15000  1.0 3.0
   55    61   -68    84   0.02550  1.0 1.0
   55    61   -68    84  -0.02600 -1.0 2.0
   55    61   -68    84   1.20400  1.0 3.0
   55    61   -84    68   0.06250  1.0 1.0
   55    61   -84    68  -0.01100 -1.0 2.0
   55    61   -84    68   0.28050  1.0 3.0
   55    61    71    72   0.15000  1.0 3.0
   55    61    71    85   0.56750  1.0 1.0
   55    61    71    85  -0.07550 -1.0 2.0
   55    61    71    85   0.20000  1.0 3.0
   55    61    71    94   0.56750  1.0 1.0
   55    61    71    94  -0.07550 -1.0 2.0
   55    61    71    94   0.20000  1.0 3.0
   56    55    61    68   0.15000  1.0 3.0
   56    55    61    84   0.23400  1.0 3.0
   56    55    61    71   0.15000  1.0 3.0
   57    55    61    68   0.15000  1.0 3.0
   57    55    61    84   0.23400  1.0 3.0
   57    55    61    71   0.15000  1.0 3.0
   61    71    85    86   0.15000  1.0 3.0
   61    71    85    88   0.34400  1.0 1.0
   61    71    85    88   0.09450 -1.0 2.0
   61    71    85    88   0.11100  1.0 3.0
   61    71    85    90  -0.26800  1.0 1.0
   61    71    85    90   0.69150 -1.0 2.0
   61    71    85    90  -0.48750  1.0 3.0
   61    71    94    91   0.34400  1.0 1.0
   61    71    94    91   0.09450 -1.0 2.0
   61    71    94    91   0.11100  1.0 3.0
   61    71    94    95   0.15000  1.0 3.0
   61    71    94   104   0.47050  1.0 1.0
   61    71    94   104   0.03900 -1.0 2.0
   61    71    94   104   0.20100  1.0 3.0
   68    61    71    72   0.15000  1.0 3.0
   68    61    71    85   0.07850  1.0 1.0
   68    61    71    85  -0.03950 -1.0 2.0
   68    61    71    85   0.67350  1.0 3.0
   68    61    71    94   0.07850  1.0 1.0
   68    61    71    94  -0.03950 -1.0 2.0
   68    61    71    94   0.67350  1.0 3.0
   69    68   -84    61   0.36800  1.0 3.0
   70    68   -84    61   0.36800  1.0 3.0
   84    61   -68    69   0.23400  1.0 3.0
   84    61   -68    70   0.23400  1.0 3.0
   84    61    71    72   0.23400  1.0 3.0
   84    61    71    85   0.02550  1.0 1.0
   84    61    71    85  -0.02600 -1.0 2.0
   84    61    71    85   1.20400  1.0 3.0
   84    61    71    94   0.02550  1.0 1.0
   84    61    71    94  -0.02600 -1.0 2.0
   84    61    71    94   1.20400  1.0 3.0
   71    61    68    69   0.15000  1.0 3.0
   71    61    68    70   0.15000  1.0 3.0
   71    61   -68    84   0.02550  1.0 1.0
   71    61   -68    84  -0.02600 -1.0 2.0
   71    61   -68    84   1.20400  1.0 3.0
   71    61   -84    68   0.06250  1.0 1.0
   71    61   -84    68  -0.01100 -1.0 2.0
   71    61   -84    68   0.28050  1.0 3.0
   71    85    88    89   0.00000  1.0 1.0
   71    85   -88    91   0.09850  1.0 1.0
   71    85   -88    91   0.15250 -1.0 2.0
   71    85   -88    91  -0.50650  1.0 3.0
   71    85    90    92  -0.25900  1.0 1.0
   71    85    90    92  -0.47000 -1.0 2.0
   71    85    90    92   0.11750  1.0 3.0
   71    94   104   105   0.15000  1.0 3.0
   71    94   104    58   0.56750  1.0 1.0
   71    94   104    58  -0.07550 -1.0 2.0
   71    94   104    58   0.20000  1.0 3.0
   71    94   104    87   0.62750  1.0 1.0
   71    94   104    87  -0.30950 -1.0 2.0
   71    94   104    87   0.27300  1.0 3.0
   72    71    85    86   0.15000  1.0 3.0
   72    71    85    88   0.15000  1.0 3.0
   72    71    85    90   0.23400  1.0 3.0
   72    71    94    91   0.15000  1.0 3.0
   72    71    94    95   0.15000  1.0 3.0
   72    71    94   104   0.15000  1.0 3.0
   85    71   -94    91   0.34400  1.0 1.0
   85    71   -94    91   0.09450 -1.0 2.0
   85    71   -94    91   0.11100  1.0 3.0
   85    71    94    95   0.15000  1.0 3.0
   85    71    94   104   0.56750  1.0 1.0
   85    71    94   104  -0.07550 -1.0 2.0
   85    71    94   104   0.20000  1.0 3.0
   85    88   -91    94   7.00000 -1.0 2.0
   85    88    91    96   7.00000 -1.0 2.0
   85    90    92    93   3.00000 -1.0 2.0
   85    90    92   100   1.63150  1.0 1.0
   85    90    92   100   2.92000 -1.0 2.0
   86    85    88    89   0.33100  1.0 3.0
   86    85    88    91   0.00000  1.0 1.0
   86    85    90    92   0.08050  1.0 3.0
   88    85    90    92  -0.82050  1.0 1.0
   88    85    90    92   0.00600 -1.0 2.0
   88    85    90    92   0.04400  1.0 3.0
   88    91   -94    71   0.09850  1.0 1.0
   88    91   -94    71   0.15250 -1.0 2.0
   88    91   -94    71  -0.50650  1.0 3.0
   88    91    94    95   0.00000  1.0 1.0
   88    91    94   104   0.09850  1.0 1.0
   88    91    94   104   0.15250 -1.0 2.0
   88    91    94   104  -0.50650  1.0 3.0
   88    91    96    97   0.00000  1.0 1.0
   88    91    96    98   0.00000  1.0 1.0
   88    91    96    99   0.00000  1.0 1.0
   89    88    91    94   7.00000 -1.0 2.0
   89    88    91    96   7.00000 -1.0 2.0
   91    94   104   105   0.15000  1.0 3.0
   91    94   104    58   0.34400  1.0 1.0
   91    94   104    58   0.09450 -1.0 2.0
   91    94   104    58   0.11100  1.0 3.0
   91    94   104    87   0.61850  1.0 1.0
   91    94   104    87  -0.22750 -1.0 2.0
   91    94   104    87   0.15300  1.0 3.0
   94    71    85    86   0.15000  1.0 3.0
   94    71   -85    88   0.34400  1.0 1.0
   94    71   -85    88   0.09450 -1.0 2.0
   94    71   -85    88   0.11100  1.0 3.0
   94    71    85    90   0.62750  1.0 1.0
   94    71    85    90  -0.30950 -1.0 2.0
   94    71    85    90   0.27300  1.0 3.0
   94    91    96    97   0.34800  1.0 3.0
   94    91    96    98   0.34800  1.0 3.0
   94    91    96    99   0.34800  1.0 3.0
   94   104    58    51   0.56750  1.0 1.0
   94   104    58    51  -0.07550 -1.0 2.0
   94   104    58    51   0.20000  1.0 3.0
   94   104    58    59   0.15000  1.0 3.0
   94   104    58    62   0.34400  1.0 1.0
   94   104    58    62   0.09450 -1.0 2.0
   94   104    58    62   0.11100  1.0 3.0
   94   104    87    73  -0.25900  1.0 1.0
   94   104    87    73  -0.47000 -1.0 2.0
   94   104    87    73   0.11750  1.0 3.0
   95    94   104   105   0.15000  1.0 3.0
   95    94   104    58   0.15000  1.0 3.0
   95    94   104    87   0.23400  1.0 3.0
  104    58   -62    73   0.09700  1.0 1.0
  104    58   -62    73   0.15600 -1.0 2.0
  104    58   -62    73  -0.50800  1.0 3.0
  104    58    62    75   0.09850  1.0 1.0
  104    58    62    75   0.15250 -1.0 2.0
  104    58    62    75  -0.50650  1.0 3.0
  105   104    58    51   0.15000  1.0 3.0
  105   104    58    59   0.15000  1.0 3.0
  105   104    58    62   0.15000  1.0 3.0
  105   104    87    73   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    61   0.47050  1.0 1.0
   58    51    55    61   0.03900 -1.0 2.0
   58    51    55    61   0.20100  1.0 3.0
   58   104   -87    73  -0.25900  1.0 1.0
   58   104   -87    73  -0.47000 -1.0 2.0
   58   104   -87    73   0.11750  1.0 3.0
   58    62    73    74  -0.64400  1.0 1.0
   58    62    73    74   0.26850 -1.0 2.0
   58    62   -73    87  -0.15000  1.0 1.0
   58    62   -73    87   0.89550 -1.0 2.0
   58    62   -73    87  -0.06900  1.0 3.0
   58    62    75    76   7.00000 -1.0 2.0
   58    62    75    77   7.00000 -1.0 2.0
   59    58    62    73   0.15000  1.0 3.0
   59    58    62    75   0.00000  1.0 1.0
   62    73   -87   104   2.00000 -1.0 2.0
   73    62    75    76   7.00000 -1.0 2.0
   73    62    75    77   7.00000 -1.0 2.0
   74    73    87   104   3.00000 -1.0 2.0
   87   104    58    51   0.62750  1.0 1.0
   87   104    58    51  -0.30950 -1.0 2.0
   87   104    58    51   0.27300  1.0 3.0
   87   104    58    59   0.23400  1.0 3.0
   87   104   -58    62   0.61850  1.0 1.0
   87   104   -58    62  -0.22750 -1.0 2.0
   87   104   -58    62   0.15300  1.0 3.0
   75    62    73    74   1.00000 -1.0 2.0
   75    62    73    87  -0.56150  1.0 1.0
   75    62    73    87   2.19150 -1.0 2.0
   96    91    94    71   0.46850  1.0 1.0
   96    91    94    71   0.08550 -1.0 2.0
   96    91    94    71   0.09800  1.0 3.0
   96    91    94    95   0.34800  1.0 3.0
   96    91    94   104   0.46850  1.0 1.0
   96    91    94   104   0.08550 -1.0 2.0
   96    91    94   104   0.09800  1.0 3.0
   90    85    88    89   0.00000  1.0 1.0
   90    85    88    91   0.39000  1.0 1.0
   90    85    88    91  -0.05800 -1.0 2.0
   90    85    88    91  -0.55150  1.0 3.0
   90    92   100   101   0.00000  1.0 1.0
   90    92   100   102   0.00000  1.0 1.0
   90    92   100   103   0.00000  1.0 1.0
   93    92   100   101   0.00000  1.0 1.0
   93    92   100   102   0.00000  1.0 1.0
   93    92   100   103   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   46    50    53    54   3.00000 -1.0 2.0
   46    50    53    60   2.00000 -1.0 2.0
   47    46    50    53   0.08050  1.0 3.0
   48    46    50    53   0.08050  1.0 3.0
   50    53    60    63  -0.56150  1.0 1.0
   50    53    60    63   2.19150 -1.0 2.0
   50    53    60    65  -0.15000  1.0 1.0
   50    53    60    65   0.89550 -1.0 2.0
   50    53    60    65  -0.06900  1.0 3.0
   53    60    63    64   7.00000 -1.0 2.0
   53    60    63    78   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    82   0.09700  1.0 1.0
   53    60    65    82   0.15600 -1.0 2.0
   53    60    65    82  -0.50800  1.0 3.0
   54    53    60    63   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   60    63    78    79   0.00000  1.0 1.0
   60    63    78    80   0.00000  1.0 1.0
   60    63    78    81   0.00000  1.0 1.0
   60    65    82    83  -0.07800  1.0 1.0
   60    65    82    83  -0.21500 -1.0 2.0
   60    65    82    83  -0.03150  1.0 3.0
   63    60    65    66   0.00000  1.0 1.0
   63    60    65    67   0.00000  1.0 1.0
   63    60    65    82   0.67800  1.0 1.0
   63    60    65    82   0.47050 -1.0 2.0
   63    60    65    82  -0.62500  1.0 3.0
   64    63    78    79   0.33100  1.0 3.0
   64    63    78    80   0.33100  1.0 3.0
   64    63    78    81   0.33100  1.0 3.0
   65    60    63    64   7.00000 -1.0 2.0
   65    60    63    78   7.00000 -1.0 2.0
   66    65    82    83   0.19450  1.0 3.0
   67    65    82    83   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   85    89    88    91   1.10000 -1.0 2.0
   94    96    91    88   1.10000 -1.0 2.0
   58    73    62    75   1.10000 -1.0 2.0
   62    87    73    74  10.50000 -1.0 2.0
   76    77    75    62   1.10000 -1.0 2.0
   90   100    92    93  10.50000 -1.0 2.0
   50    60    53    54  10.50000 -1.0 2.0
   53    65    60    63  15.00000 -1.0 2.0
   78    64    63    60  15.00000 -1.0 2.0
END
