* LIGAND DATABASE FILE (OPLS2005)
*
001     126   128    233    359     689
    1     0 S   NP   _N1_     1    28.76538    97.57842   -16.85388
    2     1 S   H    _HN1     2     1.02946    93.19644    53.14683
    3     1 S   H    _H1_     3     1.02831    48.78664   163.16642
    4     1 S   H    _H2_     4     1.02794    68.51914   -55.30432
    5     1 S   CT   _CA1     5     1.50259   153.78574  -152.21025
    6     5 S   HC   _HA1     6     1.09590   104.97289    24.81314
    7     5 S   CO3  _C1_     7     1.53696   112.48604   -94.72986
    8     7 S   O2Z  _O11     8     1.26470   115.13774   -38.23134
    9     7 S   O2Z  _O12     9     1.26205   115.19108   140.80628
   10     5 S   CT   _CB1    10     1.53201   107.24299   142.35818
   11    10 S   HC   HB11    11     1.09813   108.82614   -49.88135
   12    10 S   HC   HB12    12     1.09808   110.56748    66.54787
   13    10 S   CT   _CG1    13     1.53028   112.92450  -171.08392
   14    13 S   HC   HG11    14     1.09625   110.33975   -73.89551
   15    13 S   HC   HG12    15     1.09699   109.86027    45.08005
   16    13 S   C    _CD1    16     1.52155   112.62587   165.01729
   17    16 S   O    _OE1    17     1.22692   123.42932     3.73460
   18    16 S   N    _N2_    18     1.38485   111.41564  -175.47784
   19    18 S   H    _HN2    19     1.01523   118.47968    -1.06183
   20    18 S   CT1  _CA2    20     1.46498   124.39353   177.25369
   21    20 S   HC   _HA2    21     1.09737   109.33075   -14.63213
   22    20 S   C    _C2_    22     1.53529   107.81137  -129.73751
   23    22 S   O    _O2_    23     1.23018   122.59455  -148.80483
   24    20 S   CT   _CB2    32     1.53596   111.02957   108.31822
   25    24 S   HC   HB21    33     1.08933   108.21444    44.56475
   26    24 S   HC   HB22    34     1.09395   111.42083   163.94733
   27    22 S   N    _N3_    24     1.38441   113.36891    38.92290
   28    27 S   H    _HN3    25     1.01650   119.39302    -3.73706
   29    24 S   S    _SG2    35     1.82160   110.58253   -76.72093
   30    27 S   CT   _CA3    26     1.45270   123.17354   177.02297
   31    30 S   HC   HA31    27     1.09551   107.55743   -63.11445
   32    30 S   HC   HA32    28     1.09558   107.91188    53.29524
   33    29 S   CT   _C18    36     1.88479   103.39009   160.66745
   34    30 S   CO3  _C3_    29     1.52936   114.11910   175.23926
   35    34 S   O2Z  _O31    30     1.26370   116.05494    -0.96935
   36    34 S   O2Z  _O32    31     1.26429   114.41550   179.07550
   37    33 S   CM   _C19    37     1.52247   109.44559   -63.40044
   38    33 S   OH   _O37   125     1.43027   109.56631    59.46452
   39    38 S   HO   _H22   126     0.97211   107.23279   -59.17948
   40    37 S   CMA  _C24    38     1.35814   120.83116   -77.33799
   41    40 S   OM   _O36    39     1.26043   130.74346  -179.28618
   42    37 S   CO4  _C20   113     1.51168   117.60073   109.22917
   43    42 S   O    _O35   114     1.23209   120.04015   -44.19285
   44    40 S   CM   _C15    40     1.50140   117.32568    -1.82692
   45    42 S   CT   _C21   115     1.52306   118.98442   132.90996
   46    45 S   HC   _H15   116     1.09456   108.57209    89.37054
   47    45 S   HC   _H16   117     1.09563   109.26885   -29.68179
   48    44 S   CMA  _C16    41     1.37172   121.09781   -27.19090
   49    48 S   OM   _O38    42     1.26588   129.60858  -175.54847
   50    44 S   CT   _C14    52     1.54148   119.57999   146.62420
   51    50 S   HC   _H13    53     1.09828   106.16056   -52.40949
   52    50 S   HC   _H14    54     1.09850   111.52329  -163.40061
   53    45 S   CT   _C22   118     1.52853   111.57530  -149.89875
   54    53 S   HC   _H17   119     1.09662   109.88092    56.10291
   55    53 S   HC   _H18   120     1.09653   110.05164   -61.23948
   56    33 S   CT   _C17    43     1.59236   110.29102   178.32019
   57    50 S   CA   _C12    55     1.52262   118.24627    73.27487
   58    53 S   CT   _C23   121     1.51997   111.47607   177.56048
   59    58 S   HC   _H19   122     1.09470   110.97647    60.02847
   60    58 S   HC   _H20   123     1.09447   110.26691   179.77883
   61    58 S   HC   _H21   124     1.09468   111.01034   -60.48649
   62    56 S   CT   _C25    44     1.56721   109.02606   -61.67453
   63    62 S   HC   _H23    45     1.09583   111.35597   -52.97986
   64    62 S   HC   _H24    46     1.09719   111.47502  -171.55873
   65    62 S   HC   _H25    47     1.09491   112.59936    68.02955
   66    56 S   CT   _C26    48     1.55883   111.05833  -176.90680
   67    66 S   HC   _H26    49     1.09574   111.32032    58.39334
   68    66 S   HC   _H27    50     1.09463   112.83827   -62.56753
   69    66 S   HC   _H28    51     1.09687   110.95247   177.74771
   70    57 S   CA   _C13    56     1.40577   122.74970    60.84409
   71    70 S   CA   _C8_    57     1.40428   120.80992   179.65057
   72    70 S   OH   _O34   111     1.36987   121.72929     2.52010
   73    72 S   HO   _H12   112     0.97265   110.48268     3.09769
   74    71 S   CA   _C9_    58     1.40461   119.84359    -3.44094
   75    71 S   CO4  _C7_    99     1.48755   120.89096   177.03054
   76    75 S   O    _O33   100     1.22891   118.72711   134.85372
   77    74 S   CA   _C10    59     1.40374   121.10279     1.96284
   78    74 S   OH   _O44    97     1.37368   121.59946  -178.38990
   79    78 S   HO   _H45    98     0.97304   109.35166    10.30490
   80    75 S   CT   _C6_   101     1.51850   118.52568   -46.93007
   81    80 S   HC   _H10   102     1.09534   108.29989    97.03321
   82    80 S   HC   _H11   103     1.09586   109.61927   -21.36981
   83    57 S   CA   _C11    60     1.41379   119.40129  -122.66471
   84    77 S   CT   _C27    63     1.51663   120.23332   178.31066
   85    84 S   HC   _H30    64     1.09903   108.19246    46.51680
   86    84 S   HC   _H31    65     1.09223   110.61911   159.31956
   87    80 S   CT   _C5_   104     1.52740   111.11078  -142.01650
   88    87 S   HC   _H8_   105     1.09665   109.86384    56.23591
   89    87 S   HC   _H9_   106     1.09651   110.07154   -61.01953
   90    83 S   OH   _O39    61     1.37225   117.25155     2.45909
   91    90 S   HO   _H29    62     0.97367   109.14966  -135.16144
   92    84 S   CT   _C28    66     1.53551   114.23708   -75.99902
   93    92 S   HC   _H3_    67     1.09878   110.10428    56.78613
   94    87 S   CT   _C4_   107     1.51990   111.49968   177.69981
   95    94 S   HC   _H5_   108     1.09468   110.98141    60.05101
   96    94 S   HC   _H6_   109     1.09469   111.01096   -60.46668
   97    94 S   HC   _H7_   110     1.09448   110.26754   179.80119
   98    92 S   CO4  _C29    68     1.51164   112.50343   -60.80311
   99    98 S   O    _O40    69     1.23141   120.44492    96.78773
  100    98 S   CT   _C30    70     1.51220   117.13475   -79.97407
  101   100 S   HC   _H4_    71     1.09549   107.18339    66.08655
  102   100 S   CO4  _C31    72     1.51763   111.67064   -49.99577
  103   102 S   O    _O41    73     1.23398   120.74403  -143.20999
  104   100 S   CO4  _C36    85     1.52587   111.59091  -176.49033
  105   104 S   O    _O43    86     1.23194   121.15881    69.46914
  106   102 S   CT   _C32    74     1.53106   118.06104    43.10361
  107   104 S   CT   _C37    87     1.51888   116.53891  -110.90824
  108   107 S   HC   _H38    88     1.09476   108.08944    48.41866
  109   107 S   HC   _H39    89     1.09512   107.94016   -68.75946
  110    92 S   CO4  _C33    75     1.51726   109.68213   172.38485
  111   110 S   O    _O42    76     1.23573   119.05903   -81.08569
  112   106 S   CT   _C34    77     1.54154   108.28712  -152.65000
  113   112 S   HC   _H32    78     1.09612   111.76041  -177.22202
  114   112 S   HC   _H33    79     1.09656   110.79615    62.83354
  115   112 S   HC   _H34    80     1.09610   111.84620   -57.10597
  116   106 S   CT   _C35    81     1.53345   107.92622    89.31482
  117   116 S   HC   _H35    82     1.09583   111.45932  -177.25341
  118   116 S   HC   _H36    83     1.09628   111.20982    62.21604
  119   116 S   HC   _H37    84     1.09416   111.72880   -57.00181
  120   107 S   CT   _C38    90     1.52572   112.21014   169.62093
  121   120 S   HC   _H40    91     1.09617   109.97848   -55.16883
  122   120 S   HC   _H41    92     1.09648   109.94580    62.08046
  123   120 S   CT   _C39    93     1.51845   111.51571  -176.50980
  124   123 S   HC   _H42    94     1.09454   111.00117   -60.47923
  125   123 S   HC   _H43    95     1.09435   110.39293   179.60189
  126   123 S   HC   _H44    96     1.09371   110.72850    59.97862
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   2   1   1  16   7   1  12   4  10   4  11   9   5   4  14
   4  10   4   3   6   5   4   8  11   3   2   1   1   7   3   2
   1   3   2   1   1  11  14   4   1  12  10   4  12   3   1   9
   5   4   6  11   5   4   6   5   4   1   1  12   6   3   2   1
   1  11   5  13   6  15   5   9   4  10   9   5   4   9   2   7
   3   2   1   3   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    56    62    66    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    48    49    56    62    63    64    65    66    67    68    69    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    48    56    62    66    50    42    43    45    46    47    53    38    39  
   39    40    42    48    56    62    66  
   56  
   41    44    48    49    56    50    51    52    57    42    43    45  
   44    48    50    42  
   43    45    46    47    53    54    55    58    44    56  
   45    46    47    53  
   48    49    56    62    66    50    51    52    57    70    83  
   46    47    53    54    55    58    59    60    61  
   47    53    54    55    58  
   53    54    55    58  
   49    56    62    63    64    65    66    67    68    69    50    51    52    57  
   56    62    66    50  
   51    52    57    70    71    77    83    90    72    56  
   52    57    70    83  
   57    70    83  
   54    55    58    59    60    61  
   55    58    59    60    61  
   58    59    60    61  
   62    63    64    65    66    67    68    69  
   70    71    74    77    83    90    91    84    75    72    73  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    74    77    83    90    78    75    76    80    72    73  
   74    77    83    84    78    79    75    76    80    81    82    87    72    73  
   73    74    75    83  
    0  
   77    83    90    84    85    86    92    78    79    75    76    80  
   76    80    81    82    87    88    89    94    77    78  
   80    81    82    87  
   83    90    91    84    85    86    92    93    98   110    78    79  
   79    83    84  
    0  
   81    82    87    88    89    94    95    96    97  
   82    87    88    89    94  
   87    88    89    94  
   90    91    84    85    86    92  
   85    86    92    93    98    99   100   106   110   111    90  
   86    92    93    98   110  
   92    93    98   110  
   88    89    94    95    96    97  
   89    94    95    96    97  
   94    95    96    97  
   91  
    0  
   93    98    99   100   101   102   106   110   111   112   116   104  
   98    99   100   106   110   111  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   106   110   111   104   105   107  
  100   101   102   110   104  
  101   102   103   106   110   112   116   104   105   107   108   109   120  
  102   103   106   104   105   107  
  103   106   110   111   112   113   114   115   116   117   118   119   104   105   107  
  106   110   112   116   104  
  105   107   108   109   120   121   122   123   106  
  107   108   109   120  
  110   111   112   113   114   115   116   117   118   119  
  108   109   120   121   122   123   124   125   126  
  109   120   121   122   123  
  120   121   122   123  
  111   112   113   114   115   116   117   118   119  
  112   116  
  113   114   115   116   117   118   119  
  114   115   116  
  115   116  
  116  
  117   118   119  
  118   119  
  119  
    0  
  121   122   123   124   125   126  
  122   123   124   125   126  
  123   124   125   126  
  124   125   126  
  125   126  
  126  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  121   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  124   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  125   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  126   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   465.000  1.376
   44    48   465.000  1.376
   44    50   317.000  1.510
   48    49   745.000  1.250
   48    56   270.000  1.512
   56    62   268.000  1.529
   56    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.510
   57    70   469.000  1.400
   57    83   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   71    75   310.000  1.470
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    83   469.000  1.400
   77    84   317.000  1.510
   83    90   450.000  1.364
   90    91   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    98   317.000  1.522
   92   110   317.000  1.522
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   317.000  1.522
  100   104   317.000  1.522
  102   103   570.000  1.229
  102   106   317.000  1.522
  106   110   317.000  1.522
  106   112   268.000  1.529
  106   116   268.000  1.529
  110   111   570.000  1.229
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  104   105   570.000  1.229
  104   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   120   268.000  1.529
  120   121   340.000  1.090
  120   122   340.000  1.090
  120   123   268.000  1.529
  123   124   340.000  1.090
  123   125   340.000  1.090
  123   126   340.000  1.090
   78    79   553.000  0.945
   75    76   570.000  1.229
   75    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   72    73   553.000  0.945
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    56    48    70.00000  112.02700
   33    56    62    58.35000  112.70000
   33    56    66    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    70.00000  123.01800
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  118.62400
   40    44    48    70.00000  117.34000
   40    44    50    70.00000  124.00000
   44    40    41    65.00000  137.10300
   44    48    49    65.00000  137.10300
   44    48    56    65.00000  122.18000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    57    70.00000  112.99600
   48    56    62    70.00000  112.02700
   48    56    66    70.00000  112.02700
   56    33    37    70.00000  112.02700
   56    48    49    85.00000  112.85300
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    56    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    44    48    70.00000  124.00000
   50    57    70    70.00000  120.00000
   50    57    83    70.00000  120.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    70    71    63.00000  120.00000
   57    70    72    70.00000  120.00000
   57    83    77    63.00000  120.00000
   57    83    90    70.00000  120.00000
   70    71    74    63.00000  120.00000
   70    71    75    60.00000  119.52600
   70    72    73    35.00000  113.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    80    65.00000  115.47100
   74    77    83    63.00000  120.00000
   74    77    84    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    83    90    70.00000  120.00000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    92    70.00000  112.17500
   83    57    70    63.00000  120.00000
   83    90    91    35.00000  113.00000
   84    77    83    70.00000  120.00000
   84    92    93    37.50000  110.70000
   84    92    98    63.00000  111.10000
   84    92   110    63.00000  111.10000
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   92    98    99    80.00000  120.40000
   92    98   100    70.00000  116.00000
   92   110   106    70.00000  116.00000
   92   110   111    80.00000  120.40000
   98    92    93    35.00000  109.50000
   98   100   101    35.00000  109.50000
   98   100   102    75.00000  107.99600
   98   100   104    75.00000  107.99600
  100    98    99    80.00000  120.40000
  100   102   103    80.00000  120.40000
  100   102   106    70.00000  116.00000
  100   104   105    80.00000  120.40000
  100   104   107    70.00000  116.00000
  102   100   101    35.00000  109.50000
  102   106   110    75.00000  107.99600
  102   106   112    63.00000  111.10000
  102   106   116    63.00000  111.10000
  106   102   103    80.00000  120.40000
  106   110   111    80.00000  120.40000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
  106   116   117    37.50000  110.70000
  106   116   118    37.50000  110.70000
  106   116   119    37.50000  110.70000
  110    92    93    35.00000  109.50000
  110    92    98    75.00000  107.99600
  112   106   110    63.00000  111.10000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  116   106   110    63.00000  111.10000
  116   106   112    58.35000  112.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  104   100   101    35.00000  109.50000
  104   100   102    75.00000  107.99600
  104   107   108    35.00000  109.50000
  104   107   109    35.00000  109.50000
  104   107   120    63.00000  111.10000
  107   104   105    80.00000  120.40000
  107   120   121    37.50000  110.70000
  107   120   122    37.50000  110.70000
  107   120   123    58.35000  112.70000
  109   107   108    33.00000  107.80000
  120   107   108    37.50000  110.70000
  120   107   109    37.50000  110.70000
  120   123   124    37.50000  110.70000
  120   123   125    37.50000  110.70000
  120   123   126    37.50000  110.70000
  122   120   121    33.00000  107.80000
  123   120   121    37.50000  110.70000
  123   120   122    37.50000  110.70000
  125   123   124    33.00000  107.80000
  126   123   124    33.00000  107.80000
  126   123   125    33.00000  107.80000
   78    74    77    70.00000  120.00000
   75    71    74    60.00000  119.52600
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    87    63.00000  111.10000
   80    75    76    80.00000  120.40000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    94    58.35000  112.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    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
   72    70    71    70.00000  120.00000
   42    37    40    60.00000  125.92000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    53    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    62   0.44750  1.0 1.0
   29    33    56    62  -0.17800 -1.0 2.0
   29    33    56    62   0.20200  1.0 3.0
   29    33    56    66   0.44750  1.0 1.0
   29    33    56    66  -0.17800 -1.0 2.0
   29    33    56    66   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    45   0.25700  1.0 1.0
   33    37    42    45   0.66200 -1.0 2.0
   33    37    42    45   0.04450  1.0 3.0
   33    56    62    63   0.15000  1.0 3.0
   33    56    62    64   0.15000  1.0 3.0
   33    56    62    65   0.15000  1.0 3.0
   33    56    66    67   0.15000  1.0 3.0
   33    56    66    68   0.15000  1.0 3.0
   33    56    66    69   0.15000  1.0 3.0
   37    33    56    48   0.31000  1.0 1.0
   37    33    56    48   0.14700 -1.0 2.0
   37    33    56    48   0.07550  1.0 3.0
   37    33    56    62   0.34400  1.0 1.0
   37    33    56    62   0.09450 -1.0 2.0
   37    33    56    62   0.11100  1.0 3.0
   37    33    56    66   0.34400  1.0 1.0
   37    33    56    66   0.09450 -1.0 2.0
   37    33    56    66   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    48   7.00000 -1.0 2.0
   37    40    44    50   7.00000 -1.0 2.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    47   0.00000  1.0 1.0
   37    42    45    53   0.65300  1.0 1.0
   37    42    45    53  -0.03850 -1.0 2.0
   37    42    45    53   0.33900  1.0 3.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    45  -0.33500  1.0 1.0
   40    37    42    45   1.06600 -1.0 2.0
   40    37    42    45  -0.14000  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    56   7.00000 -1.0 2.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    52   0.00000  1.0 1.0
   40    44    50    57   1.44450  1.0 1.0
   40    44    50    57   0.06600 -1.0 2.0
   40    44    50    57   0.29250  1.0 3.0
   41    40    44    48   7.00000 -1.0 2.0
   41    40    44    50   7.00000 -1.0 2.0
   44    48   -56    33   0.09850  1.0 1.0
   44    48   -56    33   0.15250 -1.0 2.0
   44    48   -56    33  -0.50650  1.0 3.0
   44    48    56    62   0.09850  1.0 1.0
   44    48    56    62   0.15250 -1.0 2.0
   44    48    56    62  -0.50650  1.0 3.0
   44    48    56    66   0.09850  1.0 1.0
   44    48    56    66   0.15250 -1.0 2.0
   44    48    56    66  -0.50650  1.0 3.0
   44    50    57    70   0.18050 -1.0 2.0
   44    50    57    83   0.18050 -1.0 2.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    44    50    57   1.44450  1.0 1.0
   48    44    50    57   0.06600 -1.0 2.0
   48    44    50    57   0.29250  1.0 3.0
   48    56    62    63   0.15000  1.0 3.0
   48    56    62    64   0.15000  1.0 3.0
   48    56    62    65   0.15000  1.0 3.0
   48    56    66    67   0.15000  1.0 3.0
   48    56    66    68   0.15000  1.0 3.0
   48    56    66    69   0.15000  1.0 3.0
   49    48    56    33   0.09700  1.0 1.0
   49    48    56    33   0.15600 -1.0 2.0
   49    48    56    33  -0.50800  1.0 3.0
   49    48    56    62   0.09700  1.0 1.0
   49    48    56    62   0.15600 -1.0 2.0
   49    48    56    62  -0.50800  1.0 3.0
   49    48    56    66   0.09700  1.0 1.0
   49    48    56    66   0.15600 -1.0 2.0
   49    48    56    66  -0.50800  1.0 3.0
   56    33   -37    40   0.09850  1.0 1.0
   56    33   -37    40   0.15250 -1.0 2.0
   56    33   -37    40  -0.50650  1.0 3.0
   56    33    37    42   0.09700  1.0 1.0
   56    33    37    42   0.15600 -1.0 2.0
   56    33    37    42  -0.50800  1.0 3.0
   56    33    38    39  -0.11600  1.0 1.0
   56    33    38    39  -0.09450 -1.0 2.0
   56    33    38    39   0.21250  1.0 3.0
   62    56    66    67   0.15000  1.0 3.0
   62    56    66    68   0.15000  1.0 3.0
   62    56    66    69   0.15000  1.0 3.0
   66    56    62    63   0.15000  1.0 3.0
   66    56    62    64   0.15000  1.0 3.0
   66    56    62    65   0.15000  1.0 3.0
   50    44    48    49   7.00000 -1.0 2.0
   50    44    48    56   7.00000 -1.0 2.0
   50    57    70    71   3.62500 -1.0 2.0
   50    57    70    72   3.62500 -1.0 2.0
   50    57    83    77   3.62500 -1.0 2.0
   50    57    83    90   3.62500 -1.0 2.0
   51    50    57    70   0.00000  1.0 1.0
   51    50    57    83   0.00000  1.0 1.0
   52    50    57    70   0.00000  1.0 1.0
   52    50    57    83   0.00000  1.0 1.0
   57    70    71    74   3.62500 -1.0 2.0
   57    70    71    75   3.62500 -1.0 2.0
   57    70    72    73   0.84100 -1.0 2.0
   57    83    90    91   0.84100 -1.0 2.0
   70    57    83    77   3.62500 -1.0 2.0
   70    57    83    90   3.62500 -1.0 2.0
   70    71   -74    77   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    71    75    76   1.05000 -1.0 2.0
   70    71    75    80   2.26350  1.0 1.0
   70    71    75    80   0.76750 -1.0 2.0
   70    71    75    80   0.22500  1.0 3.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74    77    83   3.62500 -1.0 2.0
   71    74    77    84   3.62500 -1.0 2.0
   71    74    78    79   0.84100 -1.0 2.0
   71    75    80    81   0.00000  1.0 1.0
   71    75    80    82   0.00000  1.0 1.0
   71    75    80    87   0.05850 -1.0 2.0
   71    75    80    87   0.17250  1.0 3.0
   74    71    75    76   1.05000 -1.0 2.0
   74    71    75    80   2.26350  1.0 1.0
   74    71    75    80   0.76750 -1.0 2.0
   74    71    75    80   0.22500  1.0 3.0
   74    77   -83    57   3.62500 -1.0 2.0
   74    77    83    90   3.62500 -1.0 2.0
   74    77    84    85   0.00000  1.0 1.0
   74    77    84    86   0.00000  1.0 1.0
   74    77    84    92   0.04150 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   77    83    90    91   0.84100 -1.0 2.0
   77    84    92    93   0.43200  1.0 3.0
   77    84    92    98   0.56750  1.0 1.0
   77    84    92    98  -0.07550 -1.0 2.0
   77    84    92    98   0.20000  1.0 3.0
   77    84    92   110   0.56750  1.0 1.0
   77    84    92   110  -0.07550 -1.0 2.0
   77    84    92   110   0.20000  1.0 3.0
   83    57   -70    71   3.62500 -1.0 2.0
   83    57    70    72   3.62500 -1.0 2.0
   83    77    84    85   0.00000  1.0 1.0
   83    77    84    86   0.00000  1.0 1.0
   83    77    84    92   0.04150 -1.0 2.0
   84    77    83    57   3.62500 -1.0 2.0
   84    77    83    90   3.62500 -1.0 2.0
   84    92    98    99   0.30150 -1.0 2.0
   84    92    98   100   0.60050  1.0 1.0
   84    92    98   100   0.05600 -1.0 2.0
   84    92    98   100   0.26150  1.0 3.0
   84    92   110   106   0.60050  1.0 1.0
   84    92   110   106   0.05600 -1.0 2.0
   84    92   110   106   0.26150  1.0 3.0
   84    92   110   111   0.30150 -1.0 2.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    98  -0.11250  1.0 3.0
   85    84    92   110  -0.11250  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    98  -0.11250  1.0 3.0
   86    84    92   110  -0.11250  1.0 3.0
   92    98   100   101   0.00000  1.0 1.0
   92    98   100   102   0.65300  1.0 1.0
   92    98   100   102  -0.03850 -1.0 2.0
   92    98   100   102   0.33900  1.0 3.0
   92    98   100   104   0.65300  1.0 1.0
   92    98   100   104  -0.03850 -1.0 2.0
   92    98   100   104   0.33900  1.0 3.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92   110   106   0.00000  1.0 1.0
   93    92   110   111   0.00000  1.0 1.0
   98    92   110   106   0.65300  1.0 1.0
   98    92   110   106  -0.03850 -1.0 2.0
   98    92   110   106   0.33900  1.0 3.0
   98    92   110   111   0.30150 -1.0 2.0
   98   100   102   103   0.30150 -1.0 2.0
   98   100  -102   106   0.65300  1.0 1.0
   98   100  -102   106  -0.03850 -1.0 2.0
   98   100  -102   106   0.33900  1.0 3.0
   98   100   104   105   0.30150 -1.0 2.0
   98   100   104   107   0.65300  1.0 1.0
   98   100   104   107  -0.03850 -1.0 2.0
   98   100   104   107   0.33900  1.0 3.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.30150 -1.0 2.0
   99    98   100   104   0.30150 -1.0 2.0
  100   102   106   110   0.65300  1.0 1.0
  100   102   106   110  -0.03850 -1.0 2.0
  100   102   106   110   0.33900  1.0 3.0
  100   102   106   112   0.60050  1.0 1.0
  100   102   106   112   0.05600 -1.0 2.0
  100   102   106   112   0.26150  1.0 3.0
  100   102   106   116   0.60050  1.0 1.0
  100   102   106   116   0.05600 -1.0 2.0
  100   102   106   116   0.26150  1.0 3.0
  100   104   107   108   0.00000  1.0 1.0
  100   104   107   109   0.00000  1.0 1.0
  100   104   107   120   0.60050  1.0 1.0
  100   104   107   120   0.05600 -1.0 2.0
  100   104   107   120   0.26150  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   106   0.00000  1.0 1.0
  101   100   104   105   0.00000  1.0 1.0
  101   100   104   107   0.00000  1.0 1.0
  102   100   104   105   0.30150 -1.0 2.0
  102   100   104   107   0.65300  1.0 1.0
  102   100   104   107  -0.03850 -1.0 2.0
  102   100   104   107   0.33900  1.0 3.0
  102   106  -110    92   0.65300  1.0 1.0
  102   106  -110    92  -0.03850 -1.0 2.0
  102   106  -110    92   0.33900  1.0 3.0
  102   106   110   111   0.30150 -1.0 2.0
  102   106   112   113  -0.11250  1.0 3.0
  102   106   112   114  -0.11250  1.0 3.0
  102   106   112   115  -0.11250  1.0 3.0
  102   106   116   117  -0.11250  1.0 3.0
  102   106   116   118  -0.11250  1.0 3.0
  102   106   116   119  -0.11250  1.0 3.0
  103   102   106   110   0.30150 -1.0 2.0
  103   102   106   112   0.30150 -1.0 2.0
  103   102   106   116   0.30150 -1.0 2.0
  110    92    98    99   0.30150 -1.0 2.0
  110    92   -98   100   0.65300  1.0 1.0
  110    92   -98   100  -0.03850 -1.0 2.0
  110    92   -98   100   0.33900  1.0 3.0
  110   106   112   113  -0.11250  1.0 3.0
  110   106   112   114  -0.11250  1.0 3.0
  110   106   112   115  -0.11250  1.0 3.0
  110   106   116   117  -0.11250  1.0 3.0
  110   106   116   118  -0.11250  1.0 3.0
  110   106   116   119  -0.11250  1.0 3.0
  112   106   110    92   0.60050  1.0 1.0
  112   106   110    92   0.05600 -1.0 2.0
  112   106   110    92   0.26150  1.0 3.0
  112   106   110   111   0.30150 -1.0 2.0
  112   106   116   117   0.15000  1.0 3.0
  112   106   116   118   0.15000  1.0 3.0
  112   106   116   119   0.15000  1.0 3.0
  116   106   110    92   0.60050  1.0 1.0
  116   106   110    92   0.05600 -1.0 2.0
  116   106   110    92   0.26150  1.0 3.0
  116   106   110   111   0.30150 -1.0 2.0
  116   106   112   113   0.15000  1.0 3.0
  116   106   112   114   0.15000  1.0 3.0
  116   106   112   115   0.15000  1.0 3.0
  104   100   102   103   0.30150 -1.0 2.0
  104   100   102   106   0.65300  1.0 1.0
  104   100   102   106  -0.03850 -1.0 2.0
  104   100   102   106   0.33900  1.0 3.0
  104   107   120   121  -0.11250  1.0 3.0
  104   107   120   122  -0.11250  1.0 3.0
  104   107   120   123  -0.95700  1.0 1.0
  104   107   120   123  -0.18200 -1.0 2.0
  104   107   120   123   0.29450  1.0 3.0
  105   104   107   108   0.00000  1.0 1.0
  105   104   107   109   0.00000  1.0 1.0
  105   104   107   120   0.30150 -1.0 2.0
  107   120   123   124   0.15000  1.0 3.0
  107   120   123   125   0.15000  1.0 3.0
  107   120   123   126   0.15000  1.0 3.0
  108   107   120   121   0.15000  1.0 3.0
  108   107   120   122   0.15000  1.0 3.0
  108   107   120   123   0.15000  1.0 3.0
  109   107   120   121   0.15000  1.0 3.0
  109   107   120   122   0.15000  1.0 3.0
  109   107   120   123   0.15000  1.0 3.0
  121   120   123   124   0.15000  1.0 3.0
  121   120   123   125   0.15000  1.0 3.0
  121   120   123   126   0.15000  1.0 3.0
  122   120   123   124   0.15000  1.0 3.0
  122   120   123   125   0.15000  1.0 3.0
  122   120   123   126   0.15000  1.0 3.0
   78    74    77    83   3.62500 -1.0 2.0
   78    74    77    84   3.62500 -1.0 2.0
   75    71    74    77   3.62500 -1.0 2.0
   75    71    74    78   3.62500 -1.0 2.0
   75    80    87    88  -0.11250  1.0 3.0
   75    80    87    89  -0.11250  1.0 3.0
   75    80    87    94  -0.95700  1.0 1.0
   75    80    87    94  -0.18200 -1.0 2.0
   75    80    87    94   0.29450  1.0 3.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   76    75    80    87   0.30150 -1.0 2.0
   80    87    94    95   0.15000  1.0 3.0
   80    87    94    96   0.15000  1.0 3.0
   80    87    94    97   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    94   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    94   0.15000  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    97   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    97   0.15000  1.0 3.0
   72    70    71    74   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    53    54  -0.11250  1.0 3.0
   42    45    53    55  -0.11250  1.0 3.0
   42    45    53    58  -0.95700  1.0 1.0
   42    45    53    58  -0.18200 -1.0 2.0
   42    45    53    58   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    53   0.30150 -1.0 2.0
   45    53    58    59   0.15000  1.0 3.0
   45    53    58    60   0.15000  1.0 3.0
   45    53    58    61   0.15000  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    58   0.15000  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    55   0.15000  1.0 3.0
   47    45    53    58   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    56    48   1.05650  1.0 1.0
   38    33    56    48   0.15600 -1.0 2.0
   38    33    56    48   0.53150  1.0 3.0
   38    33    56    62   0.86500  1.0 1.0
   38    33    56    62  -0.17500 -1.0 2.0
   38    33    56    62   0.20800  1.0 3.0
   38    33    56    66   0.86500  1.0 1.0
   38    33    56    66  -0.17500 -1.0 2.0
   38    33    56    66   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   40    50    44    48   1.10000 -1.0 2.0
   56    49    48    44   1.10000 -1.0 2.0
   70    83    57    50   4.00000 -1.0 2.0
   71    72    70    57   4.00000 -1.0 2.0
   74    75    71    70   4.00000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   83    84    77    74   4.00000 -1.0 2.0
   77    90    83    57   4.00000 -1.0 2.0
   92   100    98    99  10.50000 -1.0 2.0
  100   106   102   103  10.50000 -1.0 2.0
   92   106   110   111  10.50000 -1.0 2.0
  100   107   104   105  10.50000 -1.0 2.0
   71    80    75    76  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
END
