* LIGAND DATABASE FILE (OPLS2005)
*
001     121   122    221    334     649
    1     0 S   NP   _N1_     1    29.24124    92.71775   -24.15974
    2     1 S   H    _HN1     2     1.03128    85.45105    13.25913
    3     1 S   H    _H1_     3     1.02817    21.62864  -177.95321
    4     1 S   H    _H2_     4     1.02754   111.73200   -94.31745
    5     1 S   CT   _CA1     5     1.50016   124.28292   125.83122
    6     5 S   HC   _HA1     6     1.09590   105.01490    78.30874
    7     5 S   CO3  _C1_     7     1.53787   112.65227   -41.61253
    8     7 S   O2Z  _O11     8     1.26331   115.13898   -43.33422
    9     7 S   O2Z  _O12     9     1.26268   114.88439   135.85996
   10     5 S   CT   _CB1    10     1.53145   107.70018  -163.93672
   11    10 S   HC   HB11    11     1.09817   109.42905   -49.28266
   12    10 S   HC   HB12    12     1.09766   110.55349    67.46533
   13    10 S   CT   _CG1    13     1.53034   112.40696  -170.25547
   14    13 S   HC   HG11    14     1.09595   110.48533   -65.44543
   15    13 S   HC   HG12    15     1.09676   109.79765    53.64267
   16    13 S   C    _CD1    16     1.51836   112.58130   174.11517
   17    16 S   O    _OE1    17     1.22727   123.34264     4.43102
   18    16 S   N    _N2_    18     1.38681   111.51842  -175.75388
   19    18 S   H    _HN2    19     1.01580   118.97464     0.87402
   20    18 S   CT1  _CA2    20     1.46171   123.47966   178.55220
   21    20 S   HC   _HA2    21     1.09512   109.25979    -6.42718
   22    20 S   C    _C2_    22     1.53379   107.51670  -121.27499
   23    22 S   O    _O2_    23     1.22978   122.73313  -139.89160
   24    20 S   CT   _CB2    32     1.53337   111.90579   116.38360
   25    24 S   HC   HB21    33     1.09665   109.46700    62.86927
   26    24 S   HC   HB22    34     1.09518   110.97762   179.93147
   27    22 S   N    _N3_    24     1.38483   113.11740    46.69206
   28    27 S   H    _HN3    25     1.01625   119.51094    -3.00882
   29    24 S   S    _SG2    35     1.83136   114.45832   -56.18090
   30    27 S   CT   _CA3    26     1.45259   123.07867   177.17132
   31    30 S   HC   HA31    27     1.09553   107.50435   -64.28440
   32    30 S   HC   HA32    28     1.09558   107.97063    52.12496
   33    29 S   CT   _C22    36     1.84088   100.68478   -69.70357
   34    33 S   HC   _H9_    37     1.08953   106.42096    46.28034
   35    30 S   CO3  _C3_    29     1.52934   114.13488   174.14204
   36    35 S   O2Z  _O31    30     1.26369   116.07609    -0.26907
   37    35 S   O2Z  _O32    31     1.26432   114.41586   179.79158
   38    33 S   CM   _C21    38     1.50732   107.79071   163.48032
   39    38 S   HC   _H29    39     1.08888   117.53496    58.01405
   40    33 S   CM   _C23    96     1.50661   109.65701   -75.48797
   41    40 S   HC   _H30    97     1.09310   114.64911   -46.11355
   42    38 S   CM   _C20    40     1.34248   122.86816  -121.72541
   43    42 S   HC   _H28    41     1.08773   119.39546    -0.63919
   44    40 S   CMA  _C24    98     1.35514   129.09315   133.28384
   45    44 S   OM   _O39    99     1.26482   127.39554  -177.75755
   46    42 S   CM   _C19    42     1.44506   123.40950   178.13575
   47    46 S   HC   _H27    43     1.08751   117.19640    -1.86036
   48    44 S   CT   _C25   100     1.52808   120.24994     2.69297
   49    48 S   HC   _H10   101     1.09442   113.40786     9.97244
   50    46 S   CM   _C18    44     1.34133   122.60677   179.66839
   51    50 S   HC   _H26    45     1.08801   119.84968    -1.25757
   52    48 S   CO4  _C26   102     1.52184   115.35247   130.38546
   53    52 S   O    _O35   103     1.22587   124.00452   -57.31867
   54    50 S   CM   _C17    46     1.44626   123.17124   176.72260
   55    54 S   HC   _H25    47     1.08731   117.10669    -0.16902
   56    52 S   CT1  _C27   104     1.51951   111.70191   124.55770
   57    56 S   HC   _H11   105     1.09495   109.35541   112.87962
   58    54 S   CM   _C16    48     1.34246   122.60842  -178.11706
   59    58 S   HC   _H24    49     1.08888   119.66172    -2.88025
   60    56 S   N    _N4_   106     1.46731   100.27794     0.09279
   61    56 S   CTJ  _C30   113     1.52952   112.74960  -120.59979
   62    61 S   HC   _H34   114     1.09729   110.40165    45.63580
   63    61 S   HC   _H35   115     1.09627   109.55779   162.33740
   64    58 S   CM   _C14    50     1.45908   125.44997   176.05990
   65    48 S   C    _C28   107     1.51519   112.78466  -110.62482
   66    65 S   O    _O36   108     1.22284   125.25172    55.00767
   67    60 S   CT   _C29   109     1.45102   120.70041   176.41870
   68    67 S   HC   _H31   110     1.09328   108.99222   -50.24747
   69    67 S   HC   _H32   111     1.09332   110.69887  -170.42652
   70    67 S   HC   _H33   112     1.09262   109.23229    69.90784
   71    61 S   CTI  _C31   116     1.52844   112.60095   -77.21880
   72    71 S   HC   _H36   117     1.09720   109.35537   -52.06890
   73    71 S   HC   _H37   118     1.09556   110.09306    65.70326
   74    64 S   CM   _C13    51     1.34837   120.85248   -45.14781
   75    74 S   HC   _H20    52     1.09112   118.09072     3.15889
   76    64 S   CT   _C15    92     1.50305   113.69161   139.12480
   77    76 S   HC   _H21    93     1.09541   110.42039    69.86281
   78    76 S   HC   _H22    94     1.09632   110.41406   -49.80673
   79    76 S   HC   _H23    95     1.09220   113.31434  -168.87341
   80    71 S   CO3  _C32   119     1.53294   115.26851  -173.08364
   81    80 S   O2Z  _O38   120     1.26548   114.02924   175.57889
   82    80 S   O2Z  _O37   121     1.26126   116.73174    -4.32278
   83    74 S   CT   _C11    53     1.51720   128.38507  -172.93825
   84    83 S   HC   _H8_    54     1.09339   109.59348     0.27268
   85    83 S   CT   _C12    55     1.53072   108.01077  -117.51829
   86    85 S   HC   _H17    56     1.09583   111.44995   -68.51937
   87    85 S   HC   _H18    57     1.09420   111.36880   170.69171
   88    85 S   HC   _H19    58     1.09630   111.05233    51.76637
   89    83 S   CT   _C10    59     1.55948   109.57753   118.87523
   90    89 S   HC   _H7_    60     1.09968   108.65473    53.19532
   91    89 S   CT   _C33    61     1.55457   114.14785   173.59283
   92    91 S   HC   _H38    62     1.09633   108.68480   -59.71211
   93    89 S   OS   _O34    71     1.44001   107.62647   -66.33872
   94    91 S   CT   _C34    63     1.53250   113.15243    60.46730
   95    94 S   HC   _H39    64     1.09498   111.64333    59.38278
   96    94 S   HC   _H40    65     1.09375   111.50963   -61.74188
   97    94 S   HC   _H41    66     1.09564   110.55347   179.23998
   98    91 S   CT   _C35    67     1.53386   111.19996  -176.65420
   99    98 S   HC   _H42    68     1.09488   111.79887   -66.49710
  100    98 S   HC   _H43    69     1.09553   110.55025   173.64905
  101    98 S   HC   _H44    70     1.09497   110.82368    54.49502
  102    93 S   CO   _C9_    72     1.43379   114.21139   122.21112
  103   102 S   HC   _H6_    73     1.09689   109.26312    50.87001
  104   102 S   CT   _C8_    74     1.53220   106.70798   169.97391
  105   104 S   HC   _H15    75     1.09770   109.23610    55.80210
  106   104 S   HC   _H16    76     1.09658   109.24410   -60.80231
  107   104 S   CT   _C7_    77     1.52525   111.21356   176.37761
  108   107 S   HC   _H5_    78     1.09550   110.94269  -174.02913
  109   107 S   CT   _C6_    79     1.53345   109.96574   -51.92570
  110   109 S   HC   _H4_    80     1.09765   108.19615   -67.36163
  111   107 S   OH   _O40    90     1.42789   109.26672    68.25955
  112   111 S   HO   _H45    91     0.97272   107.59468    61.01229
  113   109 S   CT   _C5_    81     1.53372   110.60506    52.12243
  114   113 S   HC   _H3_    82     1.09751   110.97035    64.88809
  115   109 S   OH   _O41    88     1.42462   110.70798   174.85578
  116   115 S   HO   _H46    89     0.97274   107.27994    48.46903
  117   102 S   OS   _O33    83     1.42820   111.43956   -70.20168
  118   113 S   CT   _C4_    84     1.52504   111.69294  -174.86104
  119   118 S   HC   _H12    85     1.09528   110.93498    58.33052
  120   118 S   HC   _H13    86     1.09228   111.66317   -62.89858
  121   118 S   HC   _H14    87     1.09549   110.37694   176.38074
  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   8   5   4   3
  11   6   2   1   1   9   4   8   3   6   3   9   4   6   3  10
   6   6   3  11   5   6   3  15   7   9   3  10  10   5   4  10
   5   1   3   2   1   1   5   4   3  15   5   4   2   1   1   2
   1   1  13   8   7   3   2   1  16   6  11   9  10   7   3   2
   1   3   2   1   1  12   6  11   6   5  11   6  12   7   3   1
   8   6   3   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    48  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    50    40    41    44  
   42    43    46    40  
   41    44    45    48    49    52    65    42  
   44    45    48  
   43    46    47    50    51    54  
   46    47    50  
   45    48    49    52    53    56    60    65    66  
   48    49    52    65  
   47    50    51    54    55    58  
   50    51    54  
   49    52    53    56    57    60    65    66    67    61  
   52    53    56    60    65    66  
   51    54    55    58    59    64  
   54    55    58  
   53    56    57    60    65    66    67    61    62    63    71  
   56    57    60    65    61  
   55    58    59    64    74    76  
   58    59    64  
   57    60    65    66    67    68    69    70    61    62    63    71    72    73    80  
   60    65    67    61    62    63    71  
   59    64    74    75    83    76    77    78    79  
   64    74    76  
   65    66    67    68    69    70    61    62    63    71  
   62    63    71    72    73    80    81    82    65    67  
   63    71    72    73    80  
   71    72    73    80  
   74    75    83    84    85    89    76    77    78    79  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    80    81    82  
   73    80    81    82  
   80    81    82  
   75    83    84    85    86    87    88    89    90    91    93    76    77    78    79  
   83    84    85    89    76  
   77    78    79    83  
   78    79  
   79  
    0  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91    92    94    98    93   102  
   85    86    87    88    89    90    91    93  
   86    87    88    89    90    91    93  
   87    88    89  
   88    89  
   89  
   90    91    92    94    95    96    97    98    99   100   101    93   102   103   104   117  
   91    92    94    98    93   102  
   92    94    95    96    97    98    99   100   101    93   102  
   94    95    96    97    98    99   100   101    93  
  102   103   104   105   106   107   113   117    94    98  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   113   114   117   118   111  
  104   105   106   107   113   117  
  105   106   107   108   109   110   113   117   115   111   112  
  106   107   108   109   117   111  
  107   108   109   117   111  
  108   109   110   113   114   117   118   115   116   111   112  
  109   110   113   115   111   112  
  110   113   114   117   118   119   120   121   115   116   111   112  
  113   114   117   118   115   116   111  
  112   113   115  
    0  
  114   117   118   119   120   121   115   116  
  117   118   119   120   121   115  
  116   117   118  
    0  
  118   119   120   121  
  119   120   121  
  120   121  
  121  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  112   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  113   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  115   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  116   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  117   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  118   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   380.000  1.444
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    54   380.000  1.444
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    64   380.000  1.444
   64    74   549.000  1.340
   64    76   317.000  1.510
   74    75   340.000  1.080
   74    83   317.000  1.510
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    94   268.000  1.529
   91    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   93   102   320.000  1.380
  102   103   340.000  1.090
  102   104   250.000  1.527
  102   117   320.000  1.380
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   268.000  1.529
  107   111   320.000  1.410
  109   110   340.000  1.090
  109   113   268.000  1.529
  109   115   320.000  1.410
  113   114   340.000  1.090
  113   117   320.000  1.410
  113   118   268.000  1.529
  118   119   340.000  1.090
  118   120   340.000  1.090
  118   121   340.000  1.090
  115   116   553.000  0.945
  111   112   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    48   270.000  1.512
   48    49   340.000  1.090
   48    52   317.000  1.522
   48    65   317.000  1.522
   52    53   570.000  1.229
   52    56   255.000  1.522
   56    57   340.000  1.090
   56    60   337.000  1.449
   56    61   268.000  1.529
   60    65   490.000  1.335
   60    67   337.000  1.449
   65    66   570.000  1.229
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    70.00000  123.01800
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  123.01800
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    64    74    70.00000  123.01800
   58    64    76    70.00000  124.00000
   64    58    59    35.00000  120.00000
   64    74    75    35.00000  120.00000
   64    74    83    70.00000  124.00000
   64    76    77    35.00000  109.50000
   64    76    78    35.00000  109.50000
   64    76    79    35.00000  109.50000
   74    83    84    35.00000  109.50000
   74    83    85    70.00000  112.02700
   74    83    89    70.00000  112.02700
   83    74    75    35.00000  117.00000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    91    92    37.50000  110.70000
   89    91    94    58.35000  112.70000
   89    91    98    58.35000  112.70000
   89    93   102    60.00000  109.50000
   91    89    90    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    37.50000  110.70000
   91    98    99    37.50000  110.70000
   91    98   100    37.50000  110.70000
   91    98   101    37.50000  110.70000
   94    91    92    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    91    92    37.50000  110.70000
   98    91    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   93   102   103    35.00000  109.50000
   93   102   104    90.00000  108.56700
   93   102   117    92.60000  111.55000
  102   104   105    45.00000  108.72000
  102   104   106    45.00000  108.72000
  102   104   107    75.00000  109.43000
  102   117   113    60.00000  109.50000
  104   102   103    45.00000  112.01100
  104   107   108    37.50000  110.70000
  104   107   109    58.35000  112.70000
  104   107   111    50.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   109   110    37.50000  110.70000
  107   109   113    58.35000  112.70000
  107   109   115    50.00000  109.50000
  107   111   112    55.00000  108.50000
  109   107   108    37.50000  110.70000
  109   113   114    37.50000  110.70000
  109   113   117    50.00000  109.50000
  109   113   118    58.35000  112.70000
  109   115   116    55.00000  108.50000
  113   109   110    37.50000  110.70000
  113   118   119    37.50000  110.70000
  113   118   120    37.50000  110.70000
  113   118   121    37.50000  110.70000
  117   102   103    35.00000  109.50000
  117   102   104    90.00000  108.56700
  117   113   114    35.00000  109.50000
  118   113   114    37.50000  110.70000
  118   113   117    50.00000  109.50000
  120   118   119    33.00000  107.80000
  121   118   119    33.00000  107.80000
  121   118   120    33.00000  107.80000
  115   109   110    35.00000  109.50000
  115   109   113    50.00000  109.50000
  111   107   108    35.00000  109.50000
  111   107   109    50.00000  109.50000
   76    64    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    48    65.00000  122.18000
   44    40    41    40.00000  120.50800
   44    48    49    45.00000  110.52000
   44    48    52    70.00000  109.06800
   44    48    65    70.00000  115.00700
   48    44    45    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  117.09000
   48    65    60    70.00000  116.60000
   48    65    66    80.00000  120.40000
   52    48    49    35.00000  109.50000
   52    56    57    45.00000  110.09800
   52    56    60    80.00000  110.29000
   52    56    61    65.00000  117.82000
   56    52    53    75.00000  123.42600
   56    60    65    50.00000  121.90000
   56    60    67    70.00000  118.74000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    71    58.35000  112.70000
   60    56    57    35.00000  109.50000
   60    65    66    80.00000  122.90000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   65    48    49    35.00000  109.50000
   65    48    52    70.00000  107.85200
   67    60    65    50.00000  121.90000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    60    80.00000  109.70000
   61    71    72    37.50000  110.70000
   61    71    73    37.50000  110.70000
   61    71    80    63.00000  111.10000
   63    61    62    33.00000  107.80000
   71    61    62    37.50000  110.70000
   71    61    63    37.50000  110.70000
   71    80    81    70.00000  117.00000
   71    80    82    70.00000  117.00000
   73    71    72    33.00000  107.80000
   80    71    72    35.00000  109.50000
   80    71    73    35.00000  109.50000
   82    80    81    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    48   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47  -0.18600  1.0 3.0
   38    42    46    50   0.28850  1.0 1.0
   38    42    46    50   2.61350 -1.0 2.0
   38    42    46    50   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46    50    54   7.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    50  -0.18600  1.0 3.0
   46    50    54    55  -0.18600  1.0 3.0
   46    50    54    58   0.28850  1.0 1.0
   46    50    54    58   2.61350 -1.0 2.0
   46    50    54    58   0.78400  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    64   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58  -0.18600  1.0 3.0
   54    58    64    74   0.28850  1.0 1.0
   54    58    64    74   2.61350 -1.0 2.0
   54    58    64    74   0.78400  1.0 3.0
   54    58    64    76  -0.18600  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    64   7.00000 -1.0 2.0
   58    64    74    75   7.00000 -1.0 2.0
   58    64    74    83   7.00000 -1.0 2.0
   58    64    76    77   0.00000  1.0 1.0
   58    64    76    78   0.00000  1.0 1.0
   58    64    76    79   0.00000  1.0 1.0
   59    58    64    74  -0.18600  1.0 3.0
   59    58    64    76   0.00000  1.0 1.0
   64    74    83    84   0.00000  1.0 1.0
   64    74    83    85   0.09850  1.0 1.0
   64    74    83    85   0.15250 -1.0 2.0
   64    74    83    85  -0.50650  1.0 3.0
   64    74    83    89   0.09850  1.0 1.0
   64    74    83    89   0.15250 -1.0 2.0
   64    74    83    89  -0.50650  1.0 3.0
   74    64    76    77   0.00000  1.0 1.0
   74    64    76    78   0.00000  1.0 1.0
   74    64    76    79   0.00000  1.0 1.0
   74    83    85    86   0.15000  1.0 3.0
   74    83    85    87   0.15000  1.0 3.0
   74    83    85    88   0.15000  1.0 3.0
   74    83    89    90   0.15000  1.0 3.0
   74    83    89    91   0.34400  1.0 1.0
   74    83    89    91   0.09450 -1.0 2.0
   74    83    89    91   0.11100  1.0 3.0
   74    83    89    93   0.61850  1.0 1.0
   74    83    89    93  -0.22750 -1.0 2.0
   74    83    89    93   0.15300  1.0 3.0
   75    74    83    84   0.33100  1.0 3.0
   75    74    83    85   0.00000  1.0 1.0
   75    74    83    89   0.00000  1.0 1.0
   83    89    91    92   0.15000  1.0 3.0
   83    89    91    94   0.56750  1.0 1.0
   83    89    91    94  -0.07550 -1.0 2.0
   83    89    91    94   0.20000  1.0 3.0
   83    89    91    98   0.56750  1.0 1.0
   83    89    91    98  -0.07550 -1.0 2.0
   83    89    91    98   0.20000  1.0 3.0
   83    89    93   102   0.06250  1.0 1.0
   83    89    93   102  -0.01100 -1.0 2.0
   83    89    93   102   0.28050  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    93   0.23400  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.56750  1.0 1.0
   85    83    89    91  -0.07550 -1.0 2.0
   85    83    89    91   0.20000  1.0 3.0
   85    83    89    93   0.62750  1.0 1.0
   85    83    89    93  -0.30950 -1.0 2.0
   85    83    89    93   0.27300  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   89    91    94    95   0.15000  1.0 3.0
   89    91    94    96   0.15000  1.0 3.0
   89    91    94    97   0.15000  1.0 3.0
   89    91    98    99   0.15000  1.0 3.0
   89    91    98   100   0.15000  1.0 3.0
   89    91    98   101   0.15000  1.0 3.0
   89    93   102   103   0.37050  1.0 3.0
   89    93   102   104   0.06250  1.0 1.0
   89    93   102   104  -0.01100 -1.0 2.0
   89    93   102   104   0.28050  1.0 3.0
   89    93   102   117  -0.53350  1.0 1.0
   89    93   102   117  -0.78350 -1.0 2.0
   89    93   102   117   0.33750  1.0 3.0
   90    89    91    92   0.15000  1.0 3.0
   90    89    91    94   0.15000  1.0 3.0
   90    89    91    98   0.15000  1.0 3.0
   90    89    93   102   0.37050  1.0 3.0
   91    89    93   102   0.06250  1.0 1.0
   91    89    93   102  -0.01100 -1.0 2.0
   91    89    93   102   0.28050  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   92    91    98    99   0.15000  1.0 3.0
   92    91    98   100   0.15000  1.0 3.0
   92    91    98   101   0.15000  1.0 3.0
   94    91    98    99   0.15000  1.0 3.0
   94    91    98   100   0.15000  1.0 3.0
   94    91    98   101   0.15000  1.0 3.0
   98    91    94    95   0.15000  1.0 3.0
   98    91    94    96   0.15000  1.0 3.0
   98    91    94    97   0.15000  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    94   0.62750  1.0 1.0
   93    89    91    94  -0.30950 -1.0 2.0
   93    89    91    94   0.27300  1.0 3.0
   93    89    91    98   0.62750  1.0 1.0
   93    89    91    98  -0.30950 -1.0 2.0
   93    89    91    98   0.27300  1.0 3.0
   93   102   104   105   0.23400  1.0 3.0
   93   102   104   106   0.23400  1.0 3.0
   93   102   104   107   0.62750  1.0 1.0
   93   102   104   107  -0.30950 -1.0 2.0
   93   102   104   107   0.27300  1.0 3.0
   93   102   117   113  -0.81800  1.0 1.0
  102   104   107   108   0.15000  1.0 3.0
  102   104   107   109   3.97050  1.0 1.0
  102   104   107   111   0.86500  1.0 1.0
  102   104   107   111  -0.17500 -1.0 2.0
  102   104   107   111   0.20800  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   117   113   0.37050  1.0 3.0
  104   102   117   113   0.06250  1.0 1.0
  104   102   117   113  -0.01100 -1.0 2.0
  104   102   117   113   0.28050  1.0 3.0
  104   107   109   110   0.15000  1.0 3.0
  104   107  -109   113   0.56750  1.0 1.0
  104   107  -109   113  -0.07550 -1.0 2.0
  104   107  -109   113   0.20000  1.0 3.0
  104   107   109   115   0.86500  1.0 1.0
  104   107   109   115  -0.17500 -1.0 2.0
  104   107   109   115   0.20800  1.0 3.0
  104   107   111   112  -0.11600  1.0 1.0
  104   107   111   112  -0.09450 -1.0 2.0
  104   107   111   112   0.21250  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   111   0.23400  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   111   0.23400  1.0 3.0
  107   109   113   114   0.15000  1.0 3.0
  107   109   113   117   0.62750  1.0 1.0
  107   109   113   117  -0.30950 -1.0 2.0
  107   109   113   117   0.27300  1.0 3.0
  107   109   113   118   0.56750  1.0 1.0
  107   109   113   118  -0.07550 -1.0 2.0
  107   109   113   118   0.20000  1.0 3.0
  107   109   115   116  -0.11600  1.0 1.0
  107   109   115   116  -0.09450 -1.0 2.0
  107   109   115   116   0.21250  1.0 3.0
  108   107   109   110   0.15000  1.0 3.0
  108   107   109   113   0.15000  1.0 3.0
  108   107   109   115   0.23400  1.0 3.0
  108   107   111   112   0.19450  1.0 3.0
  109   107   111   112  -0.11600  1.0 1.0
  109   107   111   112  -0.09450 -1.0 2.0
  109   107   111   112   0.21250  1.0 3.0
  109   113  -117   102   0.06250  1.0 1.0
  109   113  -117   102  -0.01100 -1.0 2.0
  109   113  -117   102   0.28050  1.0 3.0
  109   113   118   119   0.15000  1.0 3.0
  109   113   118   120   0.15000  1.0 3.0
  109   113   118   121   0.15000  1.0 3.0
  110   109   113   114   0.15000  1.0 3.0
  110   109   113   117   0.23400  1.0 3.0
  110   109   113   118   0.15000  1.0 3.0
  110   109   115   116   0.19450  1.0 3.0
  113   109   115   116  -0.11600  1.0 1.0
  113   109   115   116  -0.09450 -1.0 2.0
  113   109   115   116   0.21250  1.0 3.0
  114   113   117   102   0.37050  1.0 3.0
  114   113   118   119   0.15000  1.0 3.0
  114   113   118   120   0.15000  1.0 3.0
  114   113   118   121   0.15000  1.0 3.0
  117   102   104   105   0.23400  1.0 3.0
  117   102   104   106   0.23400  1.0 3.0
  117   102  -104   107   0.62750  1.0 1.0
  117   102  -104   107  -0.30950 -1.0 2.0
  117   102  -104   107   0.27300  1.0 3.0
  117   113   118   119   0.23400  1.0 3.0
  117   113   118   120   0.23400  1.0 3.0
  117   113   118   121   0.23400  1.0 3.0
  118   113   117   102   0.06250  1.0 1.0
  118   113   117   102  -0.01100 -1.0 2.0
  118   113   117   102   0.28050  1.0 3.0
  115   109   113   114   0.23400  1.0 3.0
  115   109   113   117   3.69350  1.0 1.0
  115   109   113   117  -1.82950 -1.0 2.0
  115   109   113   118   0.86500  1.0 1.0
  115   109   113   118  -0.17500 -1.0 2.0
  115   109   113   118   0.20800  1.0 3.0
  111   107   109   110   0.23400  1.0 3.0
  111   107   109   113   0.86500  1.0 1.0
  111   107   109   113  -0.17500 -1.0 2.0
  111   107   109   113   0.20800  1.0 3.0
  111   107   109   115   3.75450  1.0 1.0
   76    64    74    75   7.00000 -1.0 2.0
   76    64    74    83   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    52  -0.51250  1.0 1.0
   40    44    48    52  -0.88800 -1.0 2.0
   40    44    48    52   0.08850  1.0 3.0
   40    44    48    65  -0.51250  1.0 1.0
   40    44    48    65  -0.88800 -1.0 2.0
   40    44    48    65   0.08850  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    48   7.00000 -1.0 2.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    56   0.65300  1.0 1.0
   44    48    52    56  -0.03850 -1.0 2.0
   44    48    52    56   0.33900  1.0 3.0
   44    48    65    60   0.00000  1.0 1.0
   44    48    65    66   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.09700  1.0 1.0
   45    44    48    52   0.15600 -1.0 2.0
   45    44    48    52  -0.50800  1.0 3.0
   45    44    48    65   0.09700  1.0 1.0
   45    44    48    65   0.15600 -1.0 2.0
   45    44    48    65  -0.50800  1.0 3.0
   48    52    56    57   0.00000  1.0 1.0
   48    52   -56    60   0.65300  1.0 1.0
   48    52   -56    60  -0.03850 -1.0 2.0
   48    52   -56    60   0.33900  1.0 3.0
   48    52    56    61   0.60050  1.0 1.0
   48    52    56    61   0.05600 -1.0 2.0
   48    52    56    61   0.26150  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   49    48    65    60   0.00000  1.0 1.0
   49    48    65    66   0.00000  1.0 1.0
   52    48   -65    60   0.00000  1.0 1.0
   52    48    65    66   0.30150 -1.0 2.0
   52    56   -60    65  -0.29800  1.0 1.0
   52    56   -60    65   0.13950 -1.0 2.0
   52    56   -60    65  -2.45650  1.0 3.0
   52    56    60    67   0.17850 -1.0 2.0
   52    56    61    62  -0.03800  1.0 3.0
   52    56    61    63  -0.03800  1.0 3.0
   52    56    61    71  -0.76350  1.0 1.0
   52    56    61    71   1.70300 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    61   0.00000  1.0 1.0
   56    60   -65    48   1.15000  1.0 1.0
   56    60   -65    48   3.04450 -1.0 2.0
   56    60    65    66   3.04450 -1.0 2.0
   56    60    67    68   0.00000  1.0 1.0
   56    60    67    69   0.00000  1.0 1.0
   56    60    67    70   0.00000  1.0 1.0
   56    61    71    72   0.15000  1.0 3.0
   56    61    71    73   0.15000  1.0 3.0
   56    61    71    80  -1.59250  1.0 1.0
   56    61    71    80  -0.41250 -1.0 2.0
   56    61    71    80   0.24650  1.0 3.0
   57    56    60    65   0.00000  1.0 1.0
   57    56    60    67   0.00000  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    71   0.15000  1.0 3.0
   60    56    61    62   0.23200  1.0 3.0
   60    56    61    63   0.23200  1.0 3.0
   60    56    61    71   1.79450  1.0 1.0
   60    56    61    71   1.06000 -1.0 2.0
   60    56    61    71  -0.53000  1.0 3.0
   65    48    52    53   0.30150 -1.0 2.0
   65    48   -52    56   0.65300  1.0 1.0
   65    48   -52    56  -0.03850 -1.0 2.0
   65    48   -52    56   0.33900  1.0 3.0
   65    60    67    68   0.00000  1.0 1.0
   65    60    67    69   0.00000  1.0 1.0
   65    60    67    70   0.00000  1.0 1.0
   67    60    65    48   1.49850  1.0 1.0
   67    60    65    48   1.53950 -1.0 2.0
   67    60    65    66   3.04450 -1.0 2.0
   61    56    60    65   0.25950  1.0 1.0
   61    56    60    65   0.43850 -1.0 2.0
   61    56    60    65   2.61650  1.0 3.0
   61    56    60    67  -0.05900 -1.0 2.0
   61    71    80    81   0.27300 -1.0 2.0
   61    71    80    82   0.27300 -1.0 2.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    73   0.15000  1.0 3.0
   62    61    71    80  -0.11250  1.0 3.0
   63    61    71    72   0.15000  1.0 3.0
   63    61    71    73   0.15000  1.0 3.0
   63    61    71    80  -0.11250  1.0 3.0
   72    71    80    81   0.00000  1.0 1.0
   72    71    80    82   0.00000  1.0 1.0
   73    71    80    81   0.00000  1.0 1.0
   73    71    80    82   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   42    47    46    50  15.00000 -1.0 2.0
   54    51    50    46  15.00000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   64    59    58    54  15.00000 -1.0 2.0
   58    76    64    74  15.00000 -1.0 2.0
   83    75    74    64  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   48    45    44    40  15.00000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   67    65    60    56   1.00000 -1.0 2.0
   48    60    65    66  10.50000 -1.0 2.0
   81    71    80    82  10.50000 -1.0 2.0
END
