* LIGAND DATABASE FILE (OPLS2005)
*
001     127   129    234    361     693
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119    40.04029  -147.88374
    3     1 S   H    _H1_     3     1.02092   102.15308   -43.28438
    4     1 S   H    _H2_     4     1.02017    74.06597    62.96531
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.85993    96.94254  -158.15269
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C19    37     1.52017   106.16917    79.99518
   38    33 S   OH   _O37   126     1.43195   108.37162   -37.09339
   39    38 S   HO   _H20   127     0.96826   106.17576    55.17892
   40    37 S   CMA  _C20    38     1.35832   123.35149    94.97897
   41    40 S   OM   _O35    39     1.26393   130.79091   177.70066
   42    37 S   CO4  _C21   114     1.48066   118.06164   -85.45846
   43    42 S   O    _O36   115     1.22529   119.65958   -59.49426
   44    40 S   CM   _C15    40     1.49456   117.18452    -3.01986
   45    42 S   CT   _C22   116     1.51423   116.21292   120.42342
   46    45 S   HC   _H13   117     1.09595   108.28145    60.02245
   47    45 S   HC   _H14   118     1.09647   108.27427   -57.60829
   48    44 S   CM   _C16    41     1.35414   120.49131    21.17868
   49    44 S   CT   _C14    53     1.52079   119.50803  -158.57302
   50    49 S   HC   _H11    54     1.08725   107.92155   -59.95846
   51    49 S   HC   _H12    55     1.08639   107.78296  -175.42573
   52    45 S   CT   _C23   119     1.52673   112.10979  -178.78051
   53    52 S   HC   _H15   120     1.09608   109.94132    59.93440
   54    52 S   HC   _H16   121     1.09708   109.88728   -57.32344
   55    33 S   CT   _C17    42     1.58018   113.88664  -157.12605
   56    48 S   OH   _O38    51     1.38594   120.29504   176.31762
   57    56 S   HO   _H27    52     0.96051   109.50742  -179.97202
   58    49 S   CA   _C12    56     1.49543   111.67667    61.95748
   59    52 S   CT   _C24   122     1.51996   111.53749  -178.64954
   60    59 S   HC   _H17   123     1.09477   110.97936    58.22528
   61    59 S   HC   _H18   124     1.09387   110.25570   177.98812
   62    59 S   HC   _H19   125     1.09424   110.99610   -62.29108
   63    55 S   CT   _C25    43     1.55387   110.71230   165.20586
   64    63 S   HC   _H21    44     1.07946   108.52802   -61.08622
   65    63 S   HC   _H22    45     1.08034   108.46399   178.90514
   66    63 S   HC   _H23    46     1.08064   108.49047    58.94532
   67    55 S   CT   _C26    47     1.55248   110.67131    47.57348
   68    67 S   HC   _H24    48     1.08031   108.60785    57.22914
   69    67 S   HC   _H25    49     1.08000   108.55024   -62.76385
   70    67 S   HC   _H26    50     1.08086   108.56591   177.26849
   71    58 S   CA   _C13    57     1.39501   120.00398  -120.27751
   72    71 S   CA   _C8_    58     1.39529   119.96734  -179.96574
   73    71 S   OH   _O34   112     1.36467   119.86326    -0.07662
   74    73 S   HO   _H10   113     0.96903   110.04318  -179.97202
   75    72 S   CA   _C9_    59     1.39418   120.02937    -0.01978
   76    72 S   CO4  _C7_   100     1.45861   119.96687   179.95154
   77    76 S   O    _O33   101     1.24050   122.72437   -90.05569
   78    75 S   CA   _C10    60     1.39501   120.00328     0.01978
   79    75 S   OH   _O44    98     1.36451   120.18589   179.97202
   80    79 S   HO   _H46    99     0.96918   110.04245     0.01978
   81    76 S   CT   _C6_   102     1.53415   118.46090    89.98836
   82    81 S   HC   _H8_   103     1.09578   108.14795    30.02578
   83    81 S   HC   _H9_   104     1.09568   108.24254   -88.16559
   84    58 S   CA   _C11    61     1.39483   119.96262    59.72157
   85    78 S   CT   _C27    64     1.49525   120.05196  -179.98022
   86    85 S   HC   _H29    65     1.10060   110.21419    31.90921
   87    85 S   HC   _H30    66     1.10092   110.23718   147.94628
   88    81 S   CT   _C5_   105     1.52943   113.13657   150.90885
   89    88 S   HC   _H6_   106     1.09669   109.91919    60.04573
   90    88 S   HC   _H7_   107     1.09644   109.98772   -57.36619
   91    84 S   OH   _O39    62     1.36363   120.00623    -0.01978
   92    91 S   HO   _H28    63     0.96955   110.09082  -180.00000
   93    85 S   CT   _C28    67     1.49609   112.22727   -90.03300
   94    93 S   HC   _H31    68     1.13248   106.88654   -60.01411
   95    88 S   CT   _C4_   108     1.52036   111.48139  -178.70714
   96    95 S   HC   _H3_   109     1.09509   110.95549    58.36675
   97    95 S   HC   _H4_   110     1.09402   110.27235   -61.38639
   98    95 S   HC   _H5_   111     1.09452   110.93843   178.80188
   99    93 S   CO4  _C29    69     1.51166   111.99548    55.09921
  100    99 S   O    _O40    70     1.23089   120.33828   -85.43059
  101    99 S   CT   _C30    71     1.51752   117.01666    88.63004
  102   101 S   HC   _H32    72     1.07505   108.27641   -71.13276
  103   101 S   CO4  _C31    73     1.52196   111.42475    47.52438
  104   103 S   O    _O41    74     1.23282   121.36606   136.62383
  105   101 S   CO4  _C36    86     1.52788   110.98612   172.06971
  106   105 S   O    _O43    87     1.22966   121.03455   -62.28958
  107   103 S   CT   _C32    75     1.53272   116.93797   -48.29623
  108   105 S   CT   _C37    88     1.51835   116.06282   117.77979
  109   108 S   HC   _H39    89     1.09568   107.88909    60.00227
  110   108 S   HC   _H40    90     1.09543   107.89631   -57.13791
  111    93 S   CO4  _C33    76     1.51445   111.83344  -174.49213
  112   111 S   O    _O42    77     1.23562   119.31507    77.79389
  113   107 S   CT   _C34    78     1.53284   108.53286   -79.48145
  114   113 S   HC   _H33    79     1.08700   109.53662  -179.95577
  115   113 S   HC   _H34    80     1.08712   109.56815    60.00190
  116   113 S   HC   _H35    81     1.08757   109.52623   -60.01034
  117   107 S   CT   _C35    82     1.54007   108.86250   161.87256
  118   117 S   HC   _H36    83     1.08708   109.55115  -179.97202
  119   117 S   HC   _H37    84     1.08631   109.57960    59.99009
  120   117 S   HC   _H38    85     1.08678   109.53038   -60.01485
  121   108 S   CT   _C38    91     1.52639   112.53252  -178.56660
  122   121 S   HC   _H41    92     1.09706   109.94474   -60.01526
  123   121 S   HC   _H42    93     1.09655   109.94947    57.26431
  124   121 S   CT   _C39    94     1.51951   111.51506   178.65943
  125   124 S   HC   _H43    95     1.09477   111.01305   -58.28865
  126   124 S   HC   _H44    96     1.09480   110.95437  -178.67500
  127   124 S   HC   _H45    97     1.09398   110.32317    61.47406
  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
  20   2   1   1  16   7   1  12   4  10   4  12   9   5   4  15
  11   4   3   6   5   4  10   3   1  11   3   2   1   1   7   3
   2   1   3   2   1   1  11  14   4   1  12  10   4  12   3   1
   9   5   4   6  11   5   4   6   5   4   1   1  12   6   3   2
   1   1  11   5  13   6  15   5   9   4  10   9   5   4   9   2
   7   3   2   1   3   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    55    63    67    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    55    63    64    65    66    67    68    69    70    56    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    48    55    63    67    49    42    43    45    46    47    52    38    39  
   39    40    42    48    55    63    67  
   55  
   41    44    48    55    56    49    50    51    58    42    43    45  
   44    48    49    42  
   43    45    46    47    52    53    54    59    44    55  
   45    46    47    52  
   48    55    63    67    56    57    49    50    51    58    71    84  
   46    47    52    53    54    59    60    61    62  
   47    52    53    54    59  
   52    53    54    59  
   55    63    64    65    66    67    68    69    70    56    57    49    50    51    58  
   50    51    58    71    72    78    84    91    73    55    56  
   51    58    71    84  
   58    71    84  
   53    54    59    60    61    62  
   54    59    60    61    62  
   59    60    61    62  
   63    64    65    66    67    68    69    70    56    57  
   57    63    67  
    0  
   71    72    75    78    84    91    92    85    76    73    74  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    75    78    84    91    79    76    77    81    73    74  
   75    78    84    85    79    80    76    77    81    82    83    88    73    74  
   74    75    76    84  
    0  
   78    84    91    85    86    87    93    79    80    76    77    81  
   77    81    82    83    88    89    90    95    78    79  
   81    82    83    88  
   84    91    92    85    86    87    93    94    99   111    79    80  
   80    84    85  
    0  
   82    83    88    89    90    95    96    97    98  
   83    88    89    90    95  
   88    89    90    95  
   91    92    85    86    87    93  
   86    87    93    94    99   100   101   107   111   112    91  
   87    93    94    99   111  
   93    94    99   111  
   89    90    95    96    97    98  
   90    95    96    97    98  
   95    96    97    98  
   92  
    0  
   94    99   100   101   102   103   107   111   112   113   117   105  
   99   100   101   107   111   112  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   107   111   112   105   106   108  
  101   102   103   111   105  
  102   103   104   107   111   113   117   105   106   108   109   110   121  
  103   104   107   105   106   108  
  104   107   111   112   113   114   115   116   117   118   119   120   105   106   108  
  107   111   113   117   105  
  106   108   109   110   121   122   123   124   107  
  108   109   110   121  
  111   112   113   114   115   116   117   118   119   120  
  109   110   121   122   123   124   125   126   127  
  110   121   122   123   124  
  121   122   123   124  
  112   113   114   115   116   117   118   119   120  
  113   117  
  114   115   116   117   118   119   120  
  115   116   117  
  116   117  
  117  
  118   119   120  
  119   120  
  120  
    0  
  122   123   124   125   126   127  
  123   124   125   126   127  
  124   125   126   127  
  125   126   127  
  126   127  
  127  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  104   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  107   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  121   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  124   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  125   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  126   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  127   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    55   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   465.000  1.376
   44    48   549.000  1.340
   44    49   317.000  1.510
   48    55   317.000  1.510
   48    56   510.000  1.338
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   317.000  1.510
   58    71   469.000  1.400
   58    84   469.000  1.400
   71    72   469.000  1.400
   71    73   450.000  1.364
   72    75   469.000  1.400
   72    76   310.000  1.470
   75    78   469.000  1.400
   75    79   450.000  1.364
   78    84   469.000  1.400
   78    85   317.000  1.510
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   268.000  1.529
   93    94   340.000  1.090
   93    99   317.000  1.522
   93   111   317.000  1.522
   99   100   570.000  1.229
   99   101   317.000  1.522
  101   102   340.000  1.090
  101   103   317.000  1.522
  101   105   317.000  1.522
  103   104   570.000  1.229
  103   107   317.000  1.522
  107   111   317.000  1.522
  107   113   268.000  1.529
  107   117   268.000  1.529
  111   112   570.000  1.229
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
  117   118   340.000  1.090
  117   119   340.000  1.090
  117   120   340.000  1.090
  105   106   570.000  1.229
  105   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   121   268.000  1.529
  121   122   340.000  1.090
  121   123   340.000  1.090
  121   124   268.000  1.529
  124   125   340.000  1.090
  124   126   340.000  1.090
  124   127   340.000  1.090
   79    80   553.000  0.945
   76    77   570.000  1.229
   76    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   73    74   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   38    39   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    55    48    70.00000  112.02700
   33    55    63    58.35000  112.70000
   33    55    67    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    70.00000  123.01800
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    48    70.00000  117.34000
   40    44    49    70.00000  124.00000
   44    40    41    65.00000  137.10300
   44    48    55    70.00000  124.00000
   44    48    56    80.00000  121.38400
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    58    70.00000  112.99600
   48    55    63    70.00000  112.02700
   48    55    67    70.00000  112.02700
   48    56    57    70.00000  107.45700
   55    33    37    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    55    90.00000  109.34000
   49    44    48    70.00000  124.00000
   49    58    71    70.00000  120.00000
   49    58    84    70.00000  120.00000
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    71    72    63.00000  120.00000
   58    71    73    70.00000  120.00000
   58    84    78    63.00000  120.00000
   58    84    91    70.00000  120.00000
   71    72    75    63.00000  120.00000
   71    72    76    60.00000  119.52600
   71    73    74    35.00000  113.00000
   72    75    78    63.00000  120.00000
   72    75    79    70.00000  120.00000
   72    76    77    75.00000  123.78400
   72    76    81    65.00000  115.47100
   75    78    84    63.00000  120.00000
   75    78    85    70.00000  120.00000
   75    79    80    35.00000  113.00000
   78    84    91    70.00000  120.00000
   78    85    86    35.00000  109.50000
   78    85    87    35.00000  109.50000
   78    85    93    70.00000  112.17500
   84    58    71    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    78    84    70.00000  120.00000
   85    93    94    37.50000  110.70000
   85    93    99    63.00000  111.10000
   85    93   111    63.00000  111.10000
   87    85    86    33.00000  107.80000
   93    85    86    37.50000  110.70000
   93    85    87    37.50000  110.70000
   93    99   100    80.00000  120.40000
   93    99   101    70.00000  116.00000
   93   111   107    70.00000  116.00000
   93   111   112    80.00000  120.40000
   99    93    94    35.00000  109.50000
   99   101   102    35.00000  109.50000
   99   101   103    75.00000  107.99600
   99   101   105    75.00000  107.99600
  101    99   100    80.00000  120.40000
  101   103   104    80.00000  120.40000
  101   103   107    70.00000  116.00000
  101   105   106    80.00000  120.40000
  101   105   108    70.00000  116.00000
  103   101   102    35.00000  109.50000
  103   107   111    75.00000  107.99600
  103   107   113    63.00000  111.10000
  103   107   117    63.00000  111.10000
  107   103   104    80.00000  120.40000
  107   111   112    80.00000  120.40000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  107   117   118    37.50000  110.70000
  107   117   119    37.50000  110.70000
  107   117   120    37.50000  110.70000
  111    93    94    35.00000  109.50000
  111    93    99    75.00000  107.99600
  113   107   111    63.00000  111.10000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
  117   107   111    63.00000  111.10000
  117   107   113    58.35000  112.70000
  119   117   118    33.00000  107.80000
  120   117   118    33.00000  107.80000
  120   117   119    33.00000  107.80000
  105   101   102    35.00000  109.50000
  105   101   103    75.00000  107.99600
  105   108   109    35.00000  109.50000
  105   108   110    35.00000  109.50000
  105   108   121    63.00000  111.10000
  108   105   106    80.00000  120.40000
  108   121   122    37.50000  110.70000
  108   121   123    37.50000  110.70000
  108   121   124    58.35000  112.70000
  110   108   109    33.00000  107.80000
  121   108   109    37.50000  110.70000
  121   108   110    37.50000  110.70000
  121   124   125    37.50000  110.70000
  121   124   126    37.50000  110.70000
  121   124   127    37.50000  110.70000
  123   121   122    33.00000  107.80000
  124   121   122    37.50000  110.70000
  124   121   123    37.50000  110.70000
  126   124   125    33.00000  107.80000
  127   124   125    33.00000  107.80000
  127   124   126    33.00000  107.80000
   79    75    78    70.00000  120.00000
   76    72    75    60.00000  119.52600
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    88    63.00000  111.10000
   81    76    77    80.00000  120.40000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    95    58.35000  112.70000
   83    81    82    33.00000  107.80000
   88    81    82    37.50000  110.70000
   88    81    83    37.50000  110.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    37.50000  110.70000
   90    88    89    33.00000  107.80000
   95    88    89    37.50000  110.70000
   95    88    90    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   73    71    72    70.00000  120.00000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    52    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    59    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    55    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    63   0.44750  1.0 1.0
   29    33    55    63  -0.17800 -1.0 2.0
   29    33    55    63   0.20200  1.0 3.0
   29    33    55    67   0.44750  1.0 1.0
   29    33    55    67  -0.17800 -1.0 2.0
   29    33    55    67   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    55    63    64   0.15000  1.0 3.0
   33    55    63    65   0.15000  1.0 3.0
   33    55    63    66   0.15000  1.0 3.0
   33    55    67    68   0.15000  1.0 3.0
   33    55    67    69   0.15000  1.0 3.0
   33    55    67    70   0.15000  1.0 3.0
   37    33    55    48   0.31000  1.0 1.0
   37    33    55    48   0.14700 -1.0 2.0
   37    33    55    48   0.07550  1.0 3.0
   37    33    55    63   0.34400  1.0 1.0
   37    33    55    63   0.09450 -1.0 2.0
   37    33    55    63   0.11100  1.0 3.0
   37    33    55    67   0.34400  1.0 1.0
   37    33    55    67   0.09450 -1.0 2.0
   37    33    55    67   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    48   7.00000 -1.0 2.0
   37    40    44    49   7.00000 -1.0 2.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    47   0.00000  1.0 1.0
   37    42    45    52   0.65300  1.0 1.0
   37    42    45    52  -0.03850 -1.0 2.0
   37    42    45    52   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    48    55   7.00000 -1.0 2.0
   40    44    48    56   7.00000 -1.0 2.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44    49    58   1.44450  1.0 1.0
   40    44    49    58   0.06600 -1.0 2.0
   40    44    49    58   0.29250  1.0 3.0
   41    40    44    48   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    48   -55    33   0.09850  1.0 1.0
   44    48   -55    33   0.15250 -1.0 2.0
   44    48   -55    33  -0.50650  1.0 3.0
   44    48    55    63   0.09850  1.0 1.0
   44    48    55    63   0.15250 -1.0 2.0
   44    48    55    63  -0.50650  1.0 3.0
   44    48    55    67   0.09850  1.0 1.0
   44    48    55    67   0.15250 -1.0 2.0
   44    48    55    67  -0.50650  1.0 3.0
   44    48    56    57  -0.66100  1.0 1.0
   44    48    56    57   1.20850 -1.0 2.0
   44    48    56    57  -0.36000  1.0 3.0
   44    49    58    71   0.18050 -1.0 2.0
   44    49    58    84   0.18050 -1.0 2.0
   48    44    49    50   0.00000  1.0 1.0
   48    44    49    51   0.00000  1.0 1.0
   48    44    49    58   1.44450  1.0 1.0
   48    44    49    58   0.06600 -1.0 2.0
   48    44    49    58   0.29250  1.0 3.0
   48    55    63    64   0.15000  1.0 3.0
   48    55    63    65   0.15000  1.0 3.0
   48    55    63    66   0.15000  1.0 3.0
   48    55    67    68   0.15000  1.0 3.0
   48    55    67    69   0.15000  1.0 3.0
   48    55    67    70   0.15000  1.0 3.0
   55    33   -37    40   0.09850  1.0 1.0
   55    33   -37    40   0.15250 -1.0 2.0
   55    33   -37    40  -0.50650  1.0 3.0
   55    33    37    42   0.09700  1.0 1.0
   55    33    37    42   0.15600 -1.0 2.0
   55    33    37    42  -0.50800  1.0 3.0
   55    33    38    39  -0.11600  1.0 1.0
   55    33    38    39  -0.09450 -1.0 2.0
   55    33    38    39   0.21250  1.0 3.0
   55    48    56    57   2.00000 -1.0 2.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    70   0.15000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   56    48    55    33   0.09700  1.0 1.0
   56    48    55    33   0.15600 -1.0 2.0
   56    48    55    33  -0.50800  1.0 3.0
   56    48    55    63   0.09700  1.0 1.0
   56    48    55    63   0.15600 -1.0 2.0
   56    48    55    63  -0.50800  1.0 3.0
   56    48    55    67   0.09700  1.0 1.0
   56    48    55    67   0.15600 -1.0 2.0
   56    48    55    67  -0.50800  1.0 3.0
   49    44    48    55   7.00000 -1.0 2.0
   49    44    48    56   7.00000 -1.0 2.0
   49    58    71    72   3.62500 -1.0 2.0
   49    58    71    73   3.62500 -1.0 2.0
   49    58    84    78   3.62500 -1.0 2.0
   49    58    84    91   3.62500 -1.0 2.0
   50    49    58    71   0.00000  1.0 1.0
   50    49    58    84   0.00000  1.0 1.0
   51    49    58    71   0.00000  1.0 1.0
   51    49    58    84   0.00000  1.0 1.0
   58    71    72    75   3.62500 -1.0 2.0
   58    71    72    76   3.62500 -1.0 2.0
   58    71    73    74   0.84100 -1.0 2.0
   58    84    91    92   0.84100 -1.0 2.0
   71    58    84    78   3.62500 -1.0 2.0
   71    58    84    91   3.62500 -1.0 2.0
   71    72   -75    78   3.62500 -1.0 2.0
   71    72    75    79   3.62500 -1.0 2.0
   71    72    76    77   1.05000 -1.0 2.0
   71    72    76    81   2.26350  1.0 1.0
   71    72    76    81   0.76750 -1.0 2.0
   71    72    76    81   0.22500  1.0 3.0
   72    71    73    74   0.84100 -1.0 2.0
   72    75    78    84   3.62500 -1.0 2.0
   72    75    78    85   3.62500 -1.0 2.0
   72    75    79    80   0.84100 -1.0 2.0
   72    76    81    82   0.00000  1.0 1.0
   72    76    81    83   0.00000  1.0 1.0
   72    76    81    88   0.05850 -1.0 2.0
   72    76    81    88   0.17250  1.0 3.0
   75    72    76    77   1.05000 -1.0 2.0
   75    72    76    81   2.26350  1.0 1.0
   75    72    76    81   0.76750 -1.0 2.0
   75    72    76    81   0.22500  1.0 3.0
   75    78   -84    58   3.62500 -1.0 2.0
   75    78    84    91   3.62500 -1.0 2.0
   75    78    85    86   0.00000  1.0 1.0
   75    78    85    87   0.00000  1.0 1.0
   75    78    85    93   0.04150 -1.0 2.0
   78    75    79    80   0.84100 -1.0 2.0
   78    84    91    92   0.84100 -1.0 2.0
   78    85    93    94   0.43200  1.0 3.0
   78    85    93    99   0.56750  1.0 1.0
   78    85    93    99  -0.07550 -1.0 2.0
   78    85    93    99   0.20000  1.0 3.0
   78    85    93   111   0.56750  1.0 1.0
   78    85    93   111  -0.07550 -1.0 2.0
   78    85    93   111   0.20000  1.0 3.0
   84    58   -71    72   3.62500 -1.0 2.0
   84    58    71    73   3.62500 -1.0 2.0
   84    78    85    86   0.00000  1.0 1.0
   84    78    85    87   0.00000  1.0 1.0
   84    78    85    93   0.04150 -1.0 2.0
   85    78    84    58   3.62500 -1.0 2.0
   85    78    84    91   3.62500 -1.0 2.0
   85    93    99   100   0.30150 -1.0 2.0
   85    93    99   101   0.60050  1.0 1.0
   85    93    99   101   0.05600 -1.0 2.0
   85    93    99   101   0.26150  1.0 3.0
   85    93   111   107   0.60050  1.0 1.0
   85    93   111   107   0.05600 -1.0 2.0
   85    93   111   107   0.26150  1.0 3.0
   85    93   111   112   0.30150 -1.0 2.0
   86    85    93    94   0.15000  1.0 3.0
   86    85    93    99  -0.11250  1.0 3.0
   86    85    93   111  -0.11250  1.0 3.0
   87    85    93    94   0.15000  1.0 3.0
   87    85    93    99  -0.11250  1.0 3.0
   87    85    93   111  -0.11250  1.0 3.0
   93    99   101   102   0.00000  1.0 1.0
   93    99   101   103   0.65300  1.0 1.0
   93    99   101   103  -0.03850 -1.0 2.0
   93    99   101   103   0.33900  1.0 3.0
   93    99   101   105   0.65300  1.0 1.0
   93    99   101   105  -0.03850 -1.0 2.0
   93    99   101   105   0.33900  1.0 3.0
   94    93    99   100   0.00000  1.0 1.0
   94    93    99   101   0.00000  1.0 1.0
   94    93   111   107   0.00000  1.0 1.0
   94    93   111   112   0.00000  1.0 1.0
   99    93   111   107   0.65300  1.0 1.0
   99    93   111   107  -0.03850 -1.0 2.0
   99    93   111   107   0.33900  1.0 3.0
   99    93   111   112   0.30150 -1.0 2.0
   99   101   103   104   0.30150 -1.0 2.0
   99   101  -103   107   0.65300  1.0 1.0
   99   101  -103   107  -0.03850 -1.0 2.0
   99   101  -103   107   0.33900  1.0 3.0
   99   101   105   106   0.30150 -1.0 2.0
   99   101   105   108   0.65300  1.0 1.0
   99   101   105   108  -0.03850 -1.0 2.0
   99   101   105   108   0.33900  1.0 3.0
  100    99   101   102   0.00000  1.0 1.0
  100    99   101   103   0.30150 -1.0 2.0
  100    99   101   105   0.30150 -1.0 2.0
  101   103   107   111   0.65300  1.0 1.0
  101   103   107   111  -0.03850 -1.0 2.0
  101   103   107   111   0.33900  1.0 3.0
  101   103   107   113   0.60050  1.0 1.0
  101   103   107   113   0.05600 -1.0 2.0
  101   103   107   113   0.26150  1.0 3.0
  101   103   107   117   0.60050  1.0 1.0
  101   103   107   117   0.05600 -1.0 2.0
  101   103   107   117   0.26150  1.0 3.0
  101   105   108   109   0.00000  1.0 1.0
  101   105   108   110   0.00000  1.0 1.0
  101   105   108   121   0.60050  1.0 1.0
  101   105   108   121   0.05600 -1.0 2.0
  101   105   108   121   0.26150  1.0 3.0
  102   101   103   104   0.00000  1.0 1.0
  102   101   103   107   0.00000  1.0 1.0
  102   101   105   106   0.00000  1.0 1.0
  102   101   105   108   0.00000  1.0 1.0
  103   101   105   106   0.30150 -1.0 2.0
  103   101   105   108   0.65300  1.0 1.0
  103   101   105   108  -0.03850 -1.0 2.0
  103   101   105   108   0.33900  1.0 3.0
  103   107  -111    93   0.65300  1.0 1.0
  103   107  -111    93  -0.03850 -1.0 2.0
  103   107  -111    93   0.33900  1.0 3.0
  103   107   111   112   0.30150 -1.0 2.0
  103   107   113   114  -0.11250  1.0 3.0
  103   107   113   115  -0.11250  1.0 3.0
  103   107   113   116  -0.11250  1.0 3.0
  103   107   117   118  -0.11250  1.0 3.0
  103   107   117   119  -0.11250  1.0 3.0
  103   107   117   120  -0.11250  1.0 3.0
  104   103   107   111   0.30150 -1.0 2.0
  104   103   107   113   0.30150 -1.0 2.0
  104   103   107   117   0.30150 -1.0 2.0
  111    93    99   100   0.30150 -1.0 2.0
  111    93   -99   101   0.65300  1.0 1.0
  111    93   -99   101  -0.03850 -1.0 2.0
  111    93   -99   101   0.33900  1.0 3.0
  111   107   113   114  -0.11250  1.0 3.0
  111   107   113   115  -0.11250  1.0 3.0
  111   107   113   116  -0.11250  1.0 3.0
  111   107   117   118  -0.11250  1.0 3.0
  111   107   117   119  -0.11250  1.0 3.0
  111   107   117   120  -0.11250  1.0 3.0
  113   107   111    93   0.60050  1.0 1.0
  113   107   111    93   0.05600 -1.0 2.0
  113   107   111    93   0.26150  1.0 3.0
  113   107   111   112   0.30150 -1.0 2.0
  113   107   117   118   0.15000  1.0 3.0
  113   107   117   119   0.15000  1.0 3.0
  113   107   117   120   0.15000  1.0 3.0
  117   107   111    93   0.60050  1.0 1.0
  117   107   111    93   0.05600 -1.0 2.0
  117   107   111    93   0.26150  1.0 3.0
  117   107   111   112   0.30150 -1.0 2.0
  117   107   113   114   0.15000  1.0 3.0
  117   107   113   115   0.15000  1.0 3.0
  117   107   113   116   0.15000  1.0 3.0
  105   101   103   104   0.30150 -1.0 2.0
  105   101   103   107   0.65300  1.0 1.0
  105   101   103   107  -0.03850 -1.0 2.0
  105   101   103   107   0.33900  1.0 3.0
  105   108   121   122  -0.11250  1.0 3.0
  105   108   121   123  -0.11250  1.0 3.0
  105   108   121   124  -0.95700  1.0 1.0
  105   108   121   124  -0.18200 -1.0 2.0
  105   108   121   124   0.29450  1.0 3.0
  106   105   108   109   0.00000  1.0 1.0
  106   105   108   110   0.00000  1.0 1.0
  106   105   108   121   0.30150 -1.0 2.0
  108   121   124   125   0.15000  1.0 3.0
  108   121   124   126   0.15000  1.0 3.0
  108   121   124   127   0.15000  1.0 3.0
  109   108   121   122   0.15000  1.0 3.0
  109   108   121   123   0.15000  1.0 3.0
  109   108   121   124   0.15000  1.0 3.0
  110   108   121   122   0.15000  1.0 3.0
  110   108   121   123   0.15000  1.0 3.0
  110   108   121   124   0.15000  1.0 3.0
  122   121   124   125   0.15000  1.0 3.0
  122   121   124   126   0.15000  1.0 3.0
  122   121   124   127   0.15000  1.0 3.0
  123   121   124   125   0.15000  1.0 3.0
  123   121   124   126   0.15000  1.0 3.0
  123   121   124   127   0.15000  1.0 3.0
   79    75    78    84   3.62500 -1.0 2.0
   79    75    78    85   3.62500 -1.0 2.0
   76    72    75    78   3.62500 -1.0 2.0
   76    72    75    79   3.62500 -1.0 2.0
   76    81    88    89  -0.11250  1.0 3.0
   76    81    88    90  -0.11250  1.0 3.0
   76    81    88    95  -0.95700  1.0 1.0
   76    81    88    95  -0.18200 -1.0 2.0
   76    81    88    95   0.29450  1.0 3.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    83   0.00000  1.0 1.0
   77    76    81    88   0.30150 -1.0 2.0
   81    88    95    96   0.15000  1.0 3.0
   81    88    95    97   0.15000  1.0 3.0
   81    88    95    98   0.15000  1.0 3.0
   82    81    88    89   0.15000  1.0 3.0
   82    81    88    90   0.15000  1.0 3.0
   82    81    88    95   0.15000  1.0 3.0
   83    81    88    89   0.15000  1.0 3.0
   83    81    88    90   0.15000  1.0 3.0
   83    81    88    95   0.15000  1.0 3.0
   89    88    95    96   0.15000  1.0 3.0
   89    88    95    97   0.15000  1.0 3.0
   89    88    95    98   0.15000  1.0 3.0
   90    88    95    96   0.15000  1.0 3.0
   90    88    95    97   0.15000  1.0 3.0
   90    88    95    98   0.15000  1.0 3.0
   73    71    72    75   3.62500 -1.0 2.0
   73    71    72    76   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    52    53  -0.11250  1.0 3.0
   42    45    52    54  -0.11250  1.0 3.0
   42    45    52    59  -0.95700  1.0 1.0
   42    45    52    59  -0.18200 -1.0 2.0
   42    45    52    59   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    52   0.30150 -1.0 2.0
   45    52    59    60   0.15000  1.0 3.0
   45    52    59    61   0.15000  1.0 3.0
   45    52    59    62   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    59   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    59   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    55    48   1.05650  1.0 1.0
   38    33    55    48   0.15600 -1.0 2.0
   38    33    55    48   0.53150  1.0 3.0
   38    33    55    63   0.86500  1.0 1.0
   38    33    55    63  -0.17500 -1.0 2.0
   38    33    55    63   0.20800  1.0 3.0
   38    33    55    67   0.86500  1.0 1.0
   38    33    55    67  -0.17500 -1.0 2.0
   38    33    55    67   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   40    49    44    48   1.10000 -1.0 2.0
   55    56    48    44   1.10000 -1.0 2.0
   71    84    58    49   4.00000 -1.0 2.0
   72    73    71    58   4.00000 -1.0 2.0
   75    76    72    71   4.00000 -1.0 2.0
   78    79    75    72   4.00000 -1.0 2.0
   84    85    78    75   4.00000 -1.0 2.0
   78    91    84    58   4.00000 -1.0 2.0
   93   101    99   100  10.50000 -1.0 2.0
  101   107   103   104  10.50000 -1.0 2.0
   93   107   111   112  10.50000 -1.0 2.0
  101   108   105   106  10.50000 -1.0 2.0
   72    81    76    77  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
