* LIGAND DATABASE FILE (OPLS2005)
*
001     121   124    231    355     680
    1     0 S   NP   _N1_     1    28.94272    95.31258   -19.74080
    2     1 S   H    _HN1     2     1.02780    80.30756   -63.41998
    3     1 S   H    _H1_     3     1.02959    93.38000    44.60942
    4     1 S   H    _H2_     4     1.02838    37.13728   158.71039
    5     1 S   CT   _CA1     5     1.50116   146.40453  -179.33119
    6     5 S   HC   _HA1     6     1.09574   105.24506    45.11315
    7     5 S   CO3  _C1_     7     1.53776   112.36807   -75.14800
    8     7 S   O2Z  _O11     8     1.26361   115.00349   -44.63924
    9     7 S   O2Z  _O12     9     1.26238   114.91407   134.53979
   10     5 S   CT   _CB1    10     1.53070   107.43584   163.03280
   11    10 S   HC   HB11    11     1.09835   109.34501   -50.76234
   12    10 S   HC   HB12    12     1.09830   110.42313    65.73937
   13    10 S   CT   _CG1    13     1.53068   112.69076  -171.87452
   14    13 S   HC   HG11    14     1.09589   110.49169   -63.58939
   15    13 S   HC   HG12    15     1.09642   110.02877    55.74543
   16    13 S   C    _CD1    16     1.51737   112.09744   176.06836
   17    16 S   O    _OE1    17     1.22692   123.09354    -1.53710
   18    16 S   N    _N2_    18     1.38557   111.91299   178.47582
   19    18 S   H    _HN2    19     1.01599   119.04917     0.13706
   20    18 S   CT1  _CA2    20     1.46151   123.22178  -179.62102
   21    20 S   HC   _HA2    21     1.09612   109.18452   -17.24583
   22    20 S   C    _C2_    22     1.53383   108.31223  -132.43215
   23    22 S   O    _O2_    23     1.23013   122.30688  -144.79600
   24    20 S   CT   _CB2    32     1.53372   111.74075   105.35620
   25    24 S   HC   HB21    33     1.09654   109.62387    57.23703
   26    24 S   HC   HB22    34     1.09559   111.13774   174.69282
   27    22 S   N    _N3_    24     1.38531   113.31790    42.69747
   28    27 S   H    _HN3    25     1.01526   118.99045    -0.45197
   29    24 S   S    _SG2    35     1.82769   114.44365   -62.65187
   30    27 S   CT   _CA3    26     1.45428   123.13015   174.89293
   31    30 S   HC   HA31    27     1.09543   108.88489    30.99391
   32    30 S   HC   HA32    28     1.09486   107.21474   147.96285
   33    29 S   CT   _C19    36     1.83262    99.83263   -71.34687
   34    33 S   HC   _H21    37     1.09149   107.50070   -46.29062
   35    33 S   HC   _H22    38     1.09006   102.99464    68.27696
   36    30 S   CO3  _C3_    29     1.52960   113.34216   -92.20811
   37    36 S   O2Z  _O31    30     1.26389   115.50936   -41.93486
   38    36 S   O2Z  _O32    31     1.26374   114.90869   138.97003
   39    33 S   CT   _C18    39     1.56768   117.05629  -172.20366
   40    39 S   CT   _C9_    40     1.56210   114.30249    62.26644
   41    40 S   HC   _H3_    41     1.09456   108.68827  -173.36682
   42    39 S   OH   _O35   120     1.43604   105.85735   -55.31611
   43    42 S   HO   _H23   121     0.97361   107.30358    58.66220
   44    40 S   CT   _C10    42     1.53214   111.22756    65.42006
   45    44 S   HC   _H4_    43     1.09550   110.28030   -67.15759
   46    40 S   OS   _O34    98     1.45021   110.97795   -56.42135
   47    44 S   CT   _C11    44     1.52940   111.97458    56.68332
   48    47 S   HC   _H18    45     1.09492   107.55806  -176.10932
   49    47 S   HC   _H19    46     1.09640   108.19113    71.18610
   50    44 S   OH   _O42    96     1.42881   109.31367   176.17183
   51    50 S   HO   _H42    97     0.97252   107.68338   178.56033
   52    46 S   CO4  _C8_    99     1.36853   118.32825  -141.71403
   53    52 S   O    _O33   100     1.22585   125.17066     0.90135
   54    47 S   CT   _C12    47     1.54795   114.13217   -52.75349
   55    54 S   HC   _H5_    48     1.09486   104.53398   -60.35761
   56    52 S   CT   _C6_   101     1.53500   110.88348   179.74666
   57    54 S   CT   _C13    49     1.60942   114.52146  -174.80797
   58    56 S   CT   _C7_   102     1.53314   107.62186   -70.36035
   59    58 S   HC   _H15   103     1.09405   111.89366   179.75451
   60    58 S   HC   _H16   104     1.09356   112.00044    59.07115
   61    58 S   HC   _H17   105     1.09634   110.67936   -61.28286
   62    56 S   CT   _C5_   106     1.54210   111.25179    53.40433
   63    62 S   HC   _H13   107     1.09588   109.98325  -175.55829
   64    62 S   HC   _H14   108     1.09551   110.51698   -58.98175
   65    56 S   OS   _O43   113     1.45501   103.38230   173.34911
   66    57 S   CM   _C14    50     1.54613   113.00109  -153.02109
   67    57 S   CT   _C27    77     1.57665   109.91262    86.60890
   68    67 S   HC   _H7_    78     1.09871   108.98411  -166.01046
   69    57 S   CT   _C26    92     1.55391   110.43426   -30.80425
   70    69 S   HC   _H35    93     1.09492   112.09064    60.72162
   71    69 S   HC   _H36    94     1.09358   112.10945   -60.97614
   72    69 S   HC   _H37    95     1.09587   111.90261   178.61323
   73    62 S   CT   _C4_   109     1.52509   113.94779    63.58697
   74    73 S   HC   _H10   110     1.09337   111.47759   -60.69884
   75    73 S   HC   _H11   111     1.09490   109.87724  -179.98022
   76    73 S   HC   _H12   112     1.09394   111.59056    60.67203
   77    65 S   CO4  _C33   114     1.36054   121.79281   177.78671
   78    77 S   O    _O44   115     1.22230   127.00044     0.41307
   79    66 S   CM   _C15    51     1.34467   122.59411    -6.53849
   80    79 S   HC   _H20    52     1.08760   119.40289  -177.16303
   81    66 S   CT   _C25    73     1.51136   119.01420   174.87340
   82    81 S   HC   _H32    74     1.09400   110.74026   -68.36224
   83    81 S   HC   _H33    75     1.09596   112.04522   172.45884
   84    81 S   HC   _H34    76     1.09316   111.46208    53.02687
   85    67 S   CT   _C28    79     1.53015   116.64002    71.00928
   86    85 S   HC   _H38    80     1.09465   112.67481    79.09058
   87    85 S   HC   _H39    81     1.09469   111.40160   -41.96020
   88    67 S   OS   _O41    91     1.43736   111.80653   -49.47605
   89    77 S   CT   _C34   116     1.49892   109.22513  -179.84298
   90    89 S   HC   _H43   117     1.09292   109.80839   -61.70755
   91    89 S   HC   _H44   118     1.09381   109.37597   179.21142
   92    89 S   HC   _H45   119     1.09295   109.84643    60.21075
   93    79 S   CT   _C16    53     1.50008   123.85582     1.92030
   94    93 S   HC   _H6_    54     1.09538   105.81632   -88.63143
   95    85 S   CT   _C29    82     1.51319   103.39693  -158.25078
   96    95 S   HC   _H8_    83     1.09481   112.46437   148.72930
   97    39 S   CT   _C17    55     1.62208   111.80231  -174.13378
   98    93 S   OS   _O38    66     1.44247   109.42181   153.96620
   99    95 S   CM   _C30    84     1.48409   115.74346   -83.78030
  100    99 S   HC   _H40    85     1.07897   125.76164   -63.50370
  101    97 S   CT   _C20    56     1.58086   110.65521   170.97722
  102   101 S   HC   _H24    57     1.09337   111.11741  -176.50022
  103   101 S   HC   _H25    58     1.09318   111.41487    64.72683
  104    98 S   CO4  _C23    67     1.36221   117.99863    83.37791
  105   104 S   O    _O39    68     1.22310   126.43506    -4.21510
  106    99 S   CM   _C31    86     1.32684   108.48434   118.91359
  107   106 S   HC   _H41    87     1.07558   128.49449   177.66804
  108   101 S   OS   _O36    59     1.43693   112.33886   -56.67971
  109   104 S   CT   _C24    69     1.49833   109.39765   176.13153
  110   109 S   HC   _H29    70     1.09316   109.80587   -58.87933
  111   109 S   HC   _H30    71     1.09378   109.36553  -177.71715
  112   109 S   HC   _H31    72     1.09277   109.82660    62.99757
  113   106 S   OS   _O40    88     1.37677   116.47508    -1.53850
  114   108 S   CO4  _C21    60     1.36105   116.21891   179.65736
  115   114 S   O    _O37    61     1.22323   126.31735     0.12195
  116    95 S   CO   _C32    89     1.53005   103.97248    26.26651
  117   116 S   HC   _H9_    90     1.09529   112.30875   108.95677
  118   114 S   CT   _C22    62     1.49822   109.44637  -179.87967
  119   118 S   HC   _H26    63     1.09304   109.81965   -60.27524
  120   118 S   HC   _H27    64     1.09374   109.37642  -179.32247
  121   118 S   HC   _H28    65     1.09294   109.80134    61.56907
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   4   2   1   1  22  18   8   7   1  12   7   9  13   6
   5   2   1  12   4  21   7  15  22   9   4   3   2   8   6   5
   7  18  18   7   8   2   1   1   3   2   1   1   5   4  11   5
   4   2   1   1  11   6   5   7   3   2   1   1  10   4   8   6
   7   7   6   4   6   3   2   5   4   4   2   6   3   2   1   1
   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    97    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    54    93    97   101    46    42    43  
   35    39    40    97    42  
   39    40    97    42  
   37    38  
   38  
    0  
   40    41    44    45    47    54    55    57    79    93    94    97   101   102   103   108    98    50    46    52    42    43  
   41    44    45    47    48    49    54    93    97   101    50    51    46    52    53    56    42    43  
   44    45    47    97    50    46    52    42  
   43    44    46    54    93    97   101  
   97  
   45    47    48    49    54    55    57    97    50    51    46    52  
   47    48    49    54    50    51    46  
   52    53    56    58    62    65    47    50    97  
   48    49    54    55    57    66    93    97   101    67    69    50    51  
   49    54    55    57    97    50  
   54    55    57    97    50  
   51    54  
    0  
   53    56    58    59    60    61    62    63    64    73    65    77  
   56    58    62    65  
   55    57    66    79    93    94    97   101   102   103   108    98    81    67    68    85    88    69    70    71    72  
   57    66    93    97   101    67    69  
   58    59    60    61    62    63    64    73    74    75    76    65    77    78    89  
   66    79    80    93    97   101    81    82    83    84    67    68    85    86    87    95   116    88    69    70    71    72  
   59    60    61    62    63    64    73    65    77  
   60    61    62    65  
   61    62    65  
   62    65  
   63    64    73    74    75    76    65    77  
   64    73    74    75    76    65  
   73    74    75    76    65  
   77    78    89    90    91    92    73  
   79    80    93    94    97    98    81    82    83    84    67    68    85    88    69    70    71    72  
   68    85    86    87    95    96    99   113   116   117    88    69    70    71    72    79    81    97  
   85    86    87    95   116    88    69  
   70    71    72    79    81    85    88    97  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    89    90    91    92  
   89    90    91    92  
   80    93    94    97   101    98   104    81    82    83    84  
   93    94    97    98    81  
   82    83    84    93  
   83    84  
   84  
    0  
   86    87    95    96    99   100   106   113   116   117    88  
   87    95    96    99   116    88  
   95    96    99   116    88  
   95    96    99   106   113   116   117  
   90    91    92  
   91    92  
   92  
    0  
   94    97   101   102   103   108    98   104   105   109  
   97   101    98   104  
   96    99   100   106   107   113   116   117  
   99   100   106   113   116   117  
  101   102   103   108   114    98   104  
  104   105   109   110   111   112   101  
  100   106   107   113   116   117  
  106   107   113   116  
  102   103   108   114   115   118  
  103   108   114  
  108   114  
  105   109   110   111   112  
  109   110   111   112  
  107   113   116   117  
  113   116  
  114   115   118   119   120   121  
  110   111   112  
  111   112  
  112  
    0  
  116   117  
  115   118   119   120   121  
  118   119   120   121  
  117  
    0  
  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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   98   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  100   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
  107   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  108   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  113   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  114   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  115   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  116   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  118   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  119   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  120   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  121   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    97   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    97   268.000  1.529
   57    66   317.000  1.510
   57    67   268.000  1.529
   57    69   268.000  1.529
   66    79   549.000  1.340
   66    81   317.000  1.510
   79    80   340.000  1.080
   79    93   317.000  1.510
   93    94   340.000  1.090
   93    97   268.000  1.529
   93    98   320.000  1.410
   97   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   108   320.000  1.410
  108   114   214.000  1.327
  114   115   570.000  1.229
  114   118   317.000  1.522
  118   119   340.000  1.090
  118   120   340.000  1.090
  118   121   340.000  1.090
   98   104   214.000  1.327
  104   105   570.000  1.229
  104   109   317.000  1.522
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   67    68   340.000  1.090
   67    85   268.000  1.529
   67    88   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    95   268.000  1.529
   95    96   340.000  1.090
   95    99   317.000  1.510
   95   116   250.000  1.527
   99   100   340.000  1.080
   99   106   549.000  1.340
  106   107   340.000  1.080
  106   113   440.000  1.360
  113   116   320.000  1.380
  116   117   340.000  1.090
  116    88   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    51   553.000  0.945
   46    52   214.000  1.327
   52    53   570.000  1.229
   52    56   317.000  1.522
   56    58   268.000  1.529
   56    62   268.000  1.529
   56    65   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   65    77   214.000  1.327
   77    78   570.000  1.229
   77    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    97    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    97    54    58.35000  112.70000
   39    97    93    58.35000  112.70000
   39    97   101    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    52    83.00000  116.90000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    50    51    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    57    58.35000  112.70000
   47    54    97    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    57    66    70.00000  112.02700
   54    57    67    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    97    93    58.35000  112.70000
   54    97   101    58.35000  112.70000
   57    54    55    37.50000  110.70000
   57    66    79    70.00000  124.00000
   57    66    81    65.00000  117.92700
   57    67    68    37.50000  110.70000
   57    67    85    58.35000  112.70000
   57    67    88    50.00000  109.50000
   57    69    70    37.50000  110.70000
   57    69    71    37.50000  110.70000
   57    69    72    37.50000  110.70000
   66    79    80    35.00000  120.00000
   66    79    93    70.00000  124.00000
   66    81    82    35.00000  109.50000
   66    81    83    35.00000  109.50000
   66    81    84    35.00000  109.50000
   79    93    94    35.00000  109.50000
   79    93    97    70.00000  112.02700
   79    93    98    85.00000  110.90400
   93    79    80    35.00000  117.00000
   93    97   101    58.35000  112.70000
   93    98   104    83.00000  116.90000
   97    39    40    58.35000  112.70000
   97    54    55    37.50000  110.70000
   97    54    57    58.35000  112.70000
   97    93    94    37.50000  110.70000
   97   101   102    37.50000  110.70000
   97   101   103    37.50000  110.70000
   97   101   108    50.00000  109.50000
  101   108   114    83.00000  116.90000
  103   101   102    33.00000  107.80000
  108   101   102    35.00000  109.50000
  108   101   103    35.00000  109.50000
  108   114   115    83.00000  123.40000
  108   114   118    81.00000  111.40000
  114   118   119    35.00000  109.50000
  114   118   120    35.00000  109.50000
  114   118   121    35.00000  109.50000
  118   114   115    80.00000  120.40000
  120   118   119    33.00000  107.80000
  121   118   119    33.00000  107.80000
  121   118   120    33.00000  107.80000
   98    93    94    35.00000  109.50000
   98    93    97    50.00000  109.50000
   98   104   105    83.00000  123.40000
   98   104   109    81.00000  111.40000
  104   109   110    35.00000  109.50000
  104   109   111    35.00000  109.50000
  104   109   112    35.00000  109.50000
  109   104   105    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   81    66    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   67    57    66    70.00000  112.02700
   67    85    86    37.50000  110.70000
   67    85    87    37.50000  110.70000
   67    85    95    58.35000  112.70000
   67    88   116    60.00000  109.50000
   85    67    68    37.50000  110.70000
   85    95    96    37.50000  110.70000
   85    95    99    70.00000  112.02700
   85    95   116    75.00000  109.43000
   87    85    86    33.00000  107.80000
   95    85    86    37.50000  110.70000
   95    85    87    37.50000  110.70000
   95    99   100    35.00000  117.00000
   95    99   106    70.00000  124.00000
   95   116   113    90.00000  108.56700
   95   116   117    45.00000  112.01100
   95   116    88    90.00000  108.56700
   99    95    96    35.00000  109.50000
   99   106   107    35.00000  120.00000
   99   106   113    80.00000  120.01400
  106    99   100    35.00000  120.00000
  106   113   116    85.00000  113.97000
  113   106   107    55.00000  109.52600
  113   116   117    35.00000  109.50000
  113   116    88    92.60000  111.55000
  116    95    96    45.00000  108.72000
  116    95    99    70.00000  112.02700
   88    67    68    35.00000  109.50000
   88    67    85    50.00000  109.50000
   88   116   117    35.00000  109.50000
   69    57    66    70.00000  112.02700
   69    57    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    52    53    83.00000  123.40000
   46    52    56    81.00000  111.40000
   52    56    58    63.00000  111.10000
   52    56    62    63.00000  111.10000
   52    56    65    90.00000  108.74100
   56    52    53    80.00000  120.40000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    73    58.35000  112.70000
   56    65    77    83.00000  116.90000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    56    58    58.35000  112.70000
   62    73    74    37.50000  110.70000
   62    73    75    37.50000  110.70000
   62    73    76    37.50000  110.70000
   64    62    63    33.00000  107.80000
   73    62    63    37.50000  110.70000
   73    62    64    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   65    56    58    50.00000  109.50000
   65    56    62    50.00000  109.50000
   65    77    78    83.00000  123.40000
   65    77    89    81.00000  111.40000
   77    89    90    35.00000  109.50000
   77    89    91    35.00000  109.50000
   77    89    92    35.00000  109.50000
   89    77    78    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    97    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    97   0.44750  1.0 1.0
   29    33    39    97  -0.17800 -1.0 2.0
   29    33    39    97   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.62750  1.0 1.0
   33    39    40    46  -0.30950 -1.0 2.0
   33    39    40    46   0.27300  1.0 3.0
   33    39    97    54   0.56750  1.0 1.0
   33    39    97    54  -0.07550 -1.0 2.0
   33    39    97    54   0.20000  1.0 3.0
   33    39    97    93   0.56750  1.0 1.0
   33    39    97    93  -0.07550 -1.0 2.0
   33    39    97    93   0.20000  1.0 3.0
   33    39    97   101   0.56750  1.0 1.0
   33    39    97   101  -0.07550 -1.0 2.0
   33    39    97   101   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    97   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    97   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40    44    47   0.56750  1.0 1.0
   39    40    44    47  -0.07550 -1.0 2.0
   39    40    44    47   0.20000  1.0 3.0
   39    40    44    50   0.86500  1.0 1.0
   39    40    44    50  -0.17500 -1.0 2.0
   39    40    44    50   0.20800  1.0 3.0
   39    40    46    52  -0.25900  1.0 1.0
   39    40    46    52  -0.47000 -1.0 2.0
   39    40    46    52   0.11750  1.0 3.0
   39    97   101   102   0.15000  1.0 3.0
   39    97   101   103   0.15000  1.0 3.0
   39    97   101   108   0.62750  1.0 1.0
   39    97   101   108  -0.30950 -1.0 2.0
   39    97   101   108   0.27300  1.0 3.0
   40    39    97    54   0.56750  1.0 1.0
   40    39    97    54  -0.07550 -1.0 2.0
   40    39    97    54   0.20000  1.0 3.0
   40    39    97    93   0.56750  1.0 1.0
   40    39    97    93  -0.07550 -1.0 2.0
   40    39    97    93   0.20000  1.0 3.0
   40    39    97   101   0.56750  1.0 1.0
   40    39    97   101  -0.07550 -1.0 2.0
   40    39    97   101   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44   -47    54   0.56750  1.0 1.0
   40    44   -47    54  -0.07550 -1.0 2.0
   40    44   -47    54   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   40    46    52    53   3.00000 -1.0 2.0
   40    46    52    56   1.63150  1.0 1.0
   40    46    52    56   2.92000 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    52   0.08050  1.0 3.0
   44    40    46    52  -0.25900  1.0 1.0
   44    40    46    52  -0.47000 -1.0 2.0
   44    40    46    52   0.11750  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    57   0.56750  1.0 1.0
   44    47    54    57  -0.07550 -1.0 2.0
   44    47    54    57   0.20000  1.0 3.0
   44    47    54    97   0.56750  1.0 1.0
   44    47    54    97  -0.07550 -1.0 2.0
   44    47    54    97   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   47    44    50    51  -0.11600  1.0 1.0
   47    44    50    51  -0.09450 -1.0 2.0
   47    44    50    51   0.21250  1.0 3.0
   47    54    57    66   0.34400  1.0 1.0
   47    54    57    66   0.09450 -1.0 2.0
   47    54    57    66   0.11100  1.0 3.0
   47    54    57    67   0.56750  1.0 1.0
   47    54    57    67  -0.07550 -1.0 2.0
   47    54    57    67   0.20000  1.0 3.0
   47    54    57    69   0.56750  1.0 1.0
   47    54    57    69  -0.07550 -1.0 2.0
   47    54    57    69   0.20000  1.0 3.0
   47    54   -97    39   0.56750  1.0 1.0
   47    54   -97    39  -0.07550 -1.0 2.0
   47    54   -97    39   0.20000  1.0 3.0
   47    54    97    93   0.56750  1.0 1.0
   47    54    97    93  -0.07550 -1.0 2.0
   47    54    97    93   0.20000  1.0 3.0
   47    54    97   101   0.56750  1.0 1.0
   47    54    97   101  -0.07550 -1.0 2.0
   47    54    97   101   0.20000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    57   0.15000  1.0 3.0
   48    47    54    97   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    57   0.15000  1.0 3.0
   49    47    54    97   0.15000  1.0 3.0
   54    57    66    79   0.09850  1.0 1.0
   54    57    66    79   0.15250 -1.0 2.0
   54    57    66    79  -0.50650  1.0 3.0
   54    57    66    81   0.46850  1.0 1.0
   54    57    66    81   0.08550 -1.0 2.0
   54    57    66    81   0.09800  1.0 3.0
   54    57    67    68   0.15000  1.0 3.0
   54    57    67    85   0.56750  1.0 1.0
   54    57    67    85  -0.07550 -1.0 2.0
   54    57    67    85   0.20000  1.0 3.0
   54    57    67    88   0.62750  1.0 1.0
   54    57    67    88  -0.30950 -1.0 2.0
   54    57    67    88   0.27300  1.0 3.0
   54    57    69    70   0.15000  1.0 3.0
   54    57    69    71   0.15000  1.0 3.0
   54    57    69    72   0.15000  1.0 3.0
   54    97   101   102   0.15000  1.0 3.0
   54    97   101   103   0.15000  1.0 3.0
   54    97   101   108   0.62750  1.0 1.0
   54    97   101   108  -0.30950 -1.0 2.0
   54    97   101   108   0.27300  1.0 3.0
   55    54    57    66   0.15000  1.0 3.0
   55    54    57    67   0.15000  1.0 3.0
   55    54    57    69   0.15000  1.0 3.0
   55    54    97    39   0.15000  1.0 3.0
   55    54    97    93   0.15000  1.0 3.0
   55    54    97   101   0.15000  1.0 3.0
   57    54    97    39   0.56750  1.0 1.0
   57    54    97    39  -0.07550 -1.0 2.0
   57    54    97    39   0.20000  1.0 3.0
   57    54    97    93   0.56750  1.0 1.0
   57    54    97    93  -0.07550 -1.0 2.0
   57    54    97    93   0.20000  1.0 3.0
   57    54    97   101   0.56750  1.0 1.0
   57    54    97   101  -0.07550 -1.0 2.0
   57    54    97   101   0.20000  1.0 3.0
   57    66    79    80   7.00000 -1.0 2.0
   57    66   -79    93   7.00000 -1.0 2.0
   57    66    81    82   0.34800  1.0 3.0
   57    66    81    83   0.34800  1.0 3.0
   57    66    81    84   0.34800  1.0 3.0
   57    67    85    86   0.15000  1.0 3.0
   57    67    85    87   0.15000  1.0 3.0
   57    67    85    95   0.56750  1.0 1.0
   57    67    85    95  -0.07550 -1.0 2.0
   57    67    85    95   0.20000  1.0 3.0
   57    67    88   116   0.06250  1.0 1.0
   57    67    88   116  -0.01100 -1.0 2.0
   57    67    88   116   0.28050  1.0 3.0
   66    57    67    68   0.15000  1.0 3.0
   66    57    67    85   0.34400  1.0 1.0
   66    57    67    85   0.09450 -1.0 2.0
   66    57    67    85   0.11100  1.0 3.0
   66    57    67    88   0.61850  1.0 1.0
   66    57    67    88  -0.22750 -1.0 2.0
   66    57    67    88   0.15300  1.0 3.0
   66    57    69    70   0.15000  1.0 3.0
   66    57    69    71   0.15000  1.0 3.0
   66    57    69    72   0.15000  1.0 3.0
   66    79    93    94   0.00000  1.0 1.0
   66    79    93    97   0.09850  1.0 1.0
   66    79    93    97   0.15250 -1.0 2.0
   66    79    93    97  -0.50650  1.0 3.0
   66    79    93    98   0.39000  1.0 1.0
   66    79    93    98  -0.05800 -1.0 2.0
   66    79    93    98  -0.55150  1.0 3.0
   79    66    81    82   0.00000  1.0 1.0
   79    66    81    83   0.00000  1.0 1.0
   79    66    81    84   0.00000  1.0 1.0
   79    93    97    39   0.34400  1.0 1.0
   79    93    97    39   0.09450 -1.0 2.0
   79    93    97    39   0.11100  1.0 3.0
   79    93   -97    54   0.34400  1.0 1.0
   79    93   -97    54   0.09450 -1.0 2.0
   79    93   -97    54   0.11100  1.0 3.0
   79    93    97   101   0.34400  1.0 1.0
   79    93    97   101   0.09450 -1.0 2.0
   79    93    97   101   0.11100  1.0 3.0
   79    93    98   104  -0.82050  1.0 1.0
   79    93    98   104   0.00600 -1.0 2.0
   79    93    98   104   0.04400  1.0 3.0
   80    79    93    94   0.33100  1.0 3.0
   80    79    93    97   0.00000  1.0 1.0
   80    79    93    98   0.00000  1.0 1.0
   93    97   101   102   0.15000  1.0 3.0
   93    97   101   103   0.15000  1.0 3.0
   93    97   101   108   0.62750  1.0 1.0
   93    97   101   108  -0.30950 -1.0 2.0
   93    97   101   108   0.27300  1.0 3.0
   93    98   104   105   3.00000 -1.0 2.0
   93    98   104   109   1.63150  1.0 1.0
   93    98   104   109   2.92000 -1.0 2.0
   94    93    97    39   0.15000  1.0 3.0
   94    93    97    54   0.15000  1.0 3.0
   94    93    97   101   0.15000  1.0 3.0
   94    93    98   104   0.08050  1.0 3.0
   97    39    40    41   0.15000  1.0 3.0
   97    39   -40    44   0.56750  1.0 1.0
   97    39   -40    44  -0.07550 -1.0 2.0
   97    39   -40    44   0.20000  1.0 3.0
   97    39    40    46   0.62750  1.0 1.0
   97    39    40    46  -0.30950 -1.0 2.0
   97    39    40    46   0.27300  1.0 3.0
   97    39    42    43  -0.11600  1.0 1.0
   97    39    42    43  -0.09450 -1.0 2.0
   97    39    42    43   0.21250  1.0 3.0
   97    54   -57    66   0.34400  1.0 1.0
   97    54   -57    66   0.09450 -1.0 2.0
   97    54   -57    66   0.11100  1.0 3.0
   97    54    57    67   0.56750  1.0 1.0
   97    54    57    67  -0.07550 -1.0 2.0
   97    54    57    67   0.20000  1.0 3.0
   97    54    57    69   0.56750  1.0 1.0
   97    54    57    69  -0.07550 -1.0 2.0
   97    54    57    69   0.20000  1.0 3.0
   97    93    98   104  -0.25900  1.0 1.0
   97    93    98   104  -0.47000 -1.0 2.0
   97    93    98   104   0.11750  1.0 3.0
   97   101   108   114  -0.25900  1.0 1.0
   97   101   108   114  -0.47000 -1.0 2.0
   97   101   108   114   0.11750  1.0 3.0
  101   108   114   115   3.00000 -1.0 2.0
  101   108   114   118   1.63150  1.0 1.0
  101   108   114   118   2.92000 -1.0 2.0
  102   101   108   114   0.08050  1.0 3.0
  103   101   108   114   0.08050  1.0 3.0
  108   114   118   119   0.00000  1.0 1.0
  108   114   118   120   0.00000  1.0 1.0
  108   114   118   121   0.00000  1.0 1.0
  115   114   118   119   0.00000  1.0 1.0
  115   114   118   120   0.00000  1.0 1.0
  115   114   118   121   0.00000  1.0 1.0
   98    93    97    39   0.62750  1.0 1.0
   98    93    97    39  -0.30950 -1.0 2.0
   98    93    97    39   0.27300  1.0 3.0
   98    93    97    54   0.62750  1.0 1.0
   98    93    97    54  -0.30950 -1.0 2.0
   98    93    97    54   0.27300  1.0 3.0
   98    93    97   101   0.62750  1.0 1.0
   98    93    97   101  -0.30950 -1.0 2.0
   98    93    97   101   0.27300  1.0 3.0
   98   104   109   110   0.00000  1.0 1.0
   98   104   109   111   0.00000  1.0 1.0
   98   104   109   112   0.00000  1.0 1.0
  105   104   109   110   0.00000  1.0 1.0
  105   104   109   111   0.00000  1.0 1.0
  105   104   109   112   0.00000  1.0 1.0
   81    66    79    80   7.00000 -1.0 2.0
   81    66    79    93   7.00000 -1.0 2.0
   67    57    66    79   0.09850  1.0 1.0
   67    57    66    79   0.15250 -1.0 2.0
   67    57    66    79  -0.50650  1.0 3.0
   67    57    66    81   0.46850  1.0 1.0
   67    57    66    81   0.08550 -1.0 2.0
   67    57    66    81   0.09800  1.0 3.0
   67    57    69    70   0.15000  1.0 3.0
   67    57    69    71   0.15000  1.0 3.0
   67    57    69    72   0.15000  1.0 3.0
   67    85    95    96   0.15000  1.0 3.0
   67    85    95    99   0.34400  1.0 1.0
   67    85    95    99   0.09450 -1.0 2.0
   67    85    95    99   0.11100  1.0 3.0
   67    85   -95   116   3.97050  1.0 1.0
   68    67    85    86   0.15000  1.0 3.0
   68    67    85    87   0.15000  1.0 3.0
   68    67    85    95   0.15000  1.0 3.0
   68    67    88   116   0.37050  1.0 3.0
   85    67   -88   116   0.06250  1.0 1.0
   85    67   -88   116  -0.01100 -1.0 2.0
   85    67   -88   116   0.28050  1.0 3.0
   85    95    99   100   0.00000  1.0 1.0
   85    95    99   106   0.09850  1.0 1.0
   85    95    99   106   0.15250 -1.0 2.0
   85    95    99   106  -0.50650  1.0 3.0
   85    95   116   113   0.62750  1.0 1.0
   85    95   116   113  -0.30950 -1.0 2.0
   85    95   116   113   0.27300  1.0 3.0
   85    95   116   117   0.15000  1.0 3.0
   85    95  -116    88   0.62750  1.0 1.0
   85    95  -116    88  -0.30950 -1.0 2.0
   85    95  -116    88   0.27300  1.0 3.0
   86    85    95    96   0.15000  1.0 3.0
   86    85    95    99   0.15000  1.0 3.0
   86    85    95   116   0.15000  1.0 3.0
   87    85    95    96   0.15000  1.0 3.0
   87    85    95    99   0.15000  1.0 3.0
   87    85    95   116   0.15000  1.0 3.0
   95    99   106   107   7.00000 -1.0 2.0
   95    99  -106   113   7.00000 -1.0 2.0
   95   116   -88    67   0.06250  1.0 1.0
   95   116   -88    67  -0.01100 -1.0 2.0
   95   116   -88    67   0.28050  1.0 3.0
   96    95    99   100   0.33100  1.0 3.0
   96    95    99   106   0.00000  1.0 1.0
   96    95   116   113   0.23400  1.0 3.0
   96    95   116   117   0.15000  1.0 3.0
   96    95   116    88   0.23400  1.0 3.0
   99    95  -116   113   0.61850  1.0 1.0
   99    95  -116   113  -0.22750 -1.0 2.0
   99    95  -116   113   0.15300  1.0 3.0
   99    95   116   117   0.15000  1.0 3.0
   99    95   116    88   0.61850  1.0 1.0
   99    95   116    88  -0.22750 -1.0 2.0
   99    95   116    88   0.15300  1.0 3.0
   99   106  -113   116  -2.26850  1.0 1.0
   99   106  -113   116   3.39050 -1.0 2.0
  100    99   106   107   7.00000 -1.0 2.0
  100    99   106   113   7.00000 -1.0 2.0
  106   113  -116    95  -0.46850  1.0 1.0
  106   113  -116    95   0.09300 -1.0 2.0
  106   113  -116    95  -0.12850  1.0 3.0
  106   113   116   117   0.08050  1.0 3.0
  106   113   116    88  -0.48150  1.0 1.0
  106   113   116    88   0.09250 -1.0 2.0
  106   113   116    88  -0.12850  1.0 3.0
  107   106   113   116   0.50000 -1.0 2.0
  113   116    88    67  -0.53350  1.0 1.0
  113   116    88    67  -0.78350 -1.0 2.0
  113   116    88    67   0.33750  1.0 3.0
  116    95    99   100   0.00000  1.0 1.0
  116    95   -99   106   0.09850  1.0 1.0
  116    95   -99   106   0.15250 -1.0 2.0
  116    95   -99   106  -0.50650  1.0 3.0
  117   116    88    67   0.37050  1.0 3.0
   88    67    85    86   0.23400  1.0 3.0
   88    67    85    87   0.23400  1.0 3.0
   88    67   -85    95   0.62750  1.0 1.0
   88    67   -85    95  -0.30950 -1.0 2.0
   88    67   -85    95   0.27300  1.0 3.0
   69    57    66    79   0.09850  1.0 1.0
   69    57    66    79   0.15250 -1.0 2.0
   69    57    66    79  -0.50650  1.0 3.0
   69    57    66    81   0.46850  1.0 1.0
   69    57    66    81   0.08550 -1.0 2.0
   69    57    66    81   0.09800  1.0 3.0
   69    57    67    68   0.15000  1.0 3.0
   69    57    67    85   0.56750  1.0 1.0
   69    57    67    85  -0.07550 -1.0 2.0
   69    57    67    85   0.20000  1.0 3.0
   69    57    67    88   0.62750  1.0 1.0
   69    57    67    88  -0.30950 -1.0 2.0
   69    57    67    88   0.27300  1.0 3.0
   50    44    47    48   0.23400  1.0 3.0
   50    44    47    49   0.23400  1.0 3.0
   50    44    47    54   0.86500  1.0 1.0
   50    44    47    54  -0.17500 -1.0 2.0
   50    44    47    54   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   46    52    56    58   0.36750  1.0 3.0
   46    52    56    62   0.36750  1.0 3.0
   46    52    56    65   0.40000  1.0 3.0
   52    56    58    59  -0.11250  1.0 3.0
   52    56    58    60  -0.11250  1.0 3.0
   52    56    58    61  -0.11250  1.0 3.0
   52    56    62    63  -0.11250  1.0 3.0
   52    56    62    64  -0.11250  1.0 3.0
   52    56    62    73  -0.95700  1.0 1.0
   52    56    62    73  -0.18200 -1.0 2.0
   52    56    62    73   0.29450  1.0 3.0
   52    56    65    77  -1.80650  1.0 1.0
   52    56    65    77   0.63900 -1.0 2.0
   52    56    65    77   0.03650  1.0 3.0
   53    52    56    58   0.30150 -1.0 2.0
   53    52    56    62   0.30150 -1.0 2.0
   53    52    56    65   0.30150 -1.0 2.0
   56    62    73    74   0.15000  1.0 3.0
   56    62    73    75   0.15000  1.0 3.0
   56    62    73    76   0.15000  1.0 3.0
   56    65    77    78   3.00000 -1.0 2.0
   56    65    77    89   1.63150  1.0 1.0
   56    65    77    89   2.92000 -1.0 2.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    73   0.56750  1.0 1.0
   58    56    62    73  -0.07550 -1.0 2.0
   58    56    62    73   0.20000  1.0 3.0
   58    56    65    77  -0.25900  1.0 1.0
   58    56    65    77  -0.47000 -1.0 2.0
   58    56    65    77   0.11750  1.0 3.0
   62    56    58    59   0.15000  1.0 3.0
   62    56    58    60   0.15000  1.0 3.0
   62    56    58    61   0.15000  1.0 3.0
   62    56    65    77  -0.25900  1.0 1.0
   62    56    65    77  -0.47000 -1.0 2.0
   62    56    65    77   0.11750  1.0 3.0
   63    62    73    74   0.15000  1.0 3.0
   63    62    73    75   0.15000  1.0 3.0
   63    62    73    76   0.15000  1.0 3.0
   64    62    73    74   0.15000  1.0 3.0
   64    62    73    75   0.15000  1.0 3.0
   64    62    73    76   0.15000  1.0 3.0
   65    56    58    59   0.23400  1.0 3.0
   65    56    58    60   0.23400  1.0 3.0
   65    56    58    61   0.23400  1.0 3.0
   65    56    62    63   0.23400  1.0 3.0
   65    56    62    64   0.23400  1.0 3.0
   65    56    62    73   0.62750  1.0 1.0
   65    56    62    73  -0.30950 -1.0 2.0
   65    56    62    73   0.27300  1.0 3.0
   65    77    89    90   0.00000  1.0 1.0
   65    77    89    91   0.00000  1.0 1.0
   65    77    89    92   0.00000  1.0 1.0
   78    77    89    90   0.00000  1.0 1.0
   78    77    89    91   0.00000  1.0 1.0
   78    77    89    92   0.00000  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.69350  1.0 1.0
   42    39    40    46  -1.82950 -1.0 2.0
   42    39    97    54   0.86500  1.0 1.0
   42    39    97    54  -0.17500 -1.0 2.0
   42    39    97    54   0.20800  1.0 3.0
   42    39    97    93   0.86500  1.0 1.0
   42    39    97    93  -0.17500 -1.0 2.0
   42    39    97    93   0.20800  1.0 3.0
   42    39    97   101   0.86500  1.0 1.0
   42    39    97   101  -0.17500 -1.0 2.0
   42    39    97   101   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
   37    30    36    38  10.50000 -1.0 2.0
   57    81    66    79   1.10000 -1.0 2.0
   93    80    79    66   1.10000 -1.0 2.0
  108   118   114   115  10.50000 -1.0 2.0
   98   109   104   105  10.50000 -1.0 2.0
   95   100    99   106   1.10000 -1.0 2.0
  113   107   106    99   1.10000 -1.0 2.0
   46    56    52    53  10.50000 -1.0 2.0
   65    89    77    78  10.50000 -1.0 2.0
END
