* LIGAND DATABASE FILE (OPLS2005)
*
001     106   107    190    273     546
    1     0 S   NP   _N1_     1    29.51114    93.39501   -25.93021
    2     1 S   H    _HN1     2     1.02979    92.71265    12.03942
    3     1 S   H    _H1_     3     1.02840    14.36199  -165.79037
    4     1 S   H    _H2_     4     1.02780   114.23117   -99.41549
    5     1 S   CT   _CA1     5     1.50163   116.93456   126.62213
    6     5 S   HC   _HA1     6     1.09553   105.36579    73.69896
    7     5 S   CO3  _C1_     7     1.53866   112.17817   -46.83134
    8     7 S   O2Z  _O11     8     1.26383   115.02661   -45.29990
    9     7 S   O2Z  _O12     9     1.26227   114.89957   133.82221
   10     5 S   CT   _CB1    10     1.52985   107.32897  -168.17183
   11    10 S   HC   HB11    11     1.09819   109.71431   -48.95260
   12    10 S   HC   HB12    12     1.09627   109.94935    67.55267
   13    10 S   CT   _CG1    13     1.52982   113.06908  -170.38922
   14    13 S   HC   HG11    14     1.09578   110.49494   -57.57621
   15    13 S   HC   HG12    15     1.09605   110.17155    61.83030
   16    13 S   C    _CD1    16     1.51807   111.82063  -177.66653
   17    16 S   O    _OE1    17     1.22746   123.19219    -6.72208
   18    16 S   N    _N2_    18     1.38585   111.89473   173.09047
   19    18 S   H    _HN2    19     1.01572   119.26233     2.79631
   20    18 S   CT1  _CA2    20     1.46125   122.95820  -175.65260
   21    20 S   HC   _HA2    21     1.09595   109.19774    -9.00097
   22    20 S   C    _C2_    22     1.53363   109.00691  -124.50053
   23    22 S   O    _O2_    23     1.23031   122.09260  -148.09188
   24    20 S   CT   _CB2    32     1.53472   111.54240   112.89193
   25    24 S   HC   HB21    33     1.09658   109.50630    64.59714
   26    24 S   HC   HB22    34     1.09567   111.03339  -178.00502
   27    22 S   N    _N3_    24     1.38466   113.49156    39.42429
   28    27 S   H    _HN3    25     1.01518   118.90150    -0.73115
   29    24 S   S    _SG2    35     1.82723   114.21974   -54.67453
   30    27 S   CT   _CA3    26     1.45447   123.46817   174.83635
   31    30 S   HC   HA31    27     1.09523   109.25583    24.18707
   32    30 S   HC   HA32    28     1.09496   107.12626   141.21641
   33    29 S   CT   _C26    36     1.82342    99.95527   -73.04526
   34    33 S   HC   _H26    37     1.09463   108.36960   -65.69516
   35    33 S   HC   _H27    38     1.09196   110.29440    51.35327
   36    30 S   CO3  _C3_    29     1.52930   113.07036   -99.28319
   37    36 S   O2Z  _O31    30     1.26406   115.39394   -44.36952
   38    36 S   O2Z  _O32    31     1.26352   114.98532   136.53686
   39    33 S   CM   _C24    39     1.50207   109.23214   172.61111
   40    39 S   CMA  _C25    40     1.34947   127.17721    97.68215
   41    40 S   OM   _O40    41     1.26301   127.90334     1.78048
   42    40 S   OS   _O39    42     1.41907   109.77589  -177.47098
   43    42 S   CT   _C22    43     1.44263   107.34235    11.75048
   44    43 S   HC   _H5_    44     1.08865   105.76792  -139.34318
   45    43 S   CM   _C21    45     1.51686   108.49776   101.32430
   46    45 S   HC   _H25    46     1.09084   113.26935   -54.09441
   47    39 S   CT   _C23    61     1.50526   120.73985   -81.59148
   48    47 S   HC   _H6_    62     1.09706   109.49884    48.96862
   49    45 S   CM   _C20    47     1.35184   129.45844   128.80794
   50    49 S   CT   _C19    48     1.52724   127.41867    -3.53341
   51    50 S   HC   _H4_    49     1.09872   107.08964  -155.90949
   52    49 S   CT   _C27   103     1.51044   118.96565   176.12217
   53    52 S   HC   _H28   104     1.09498   110.25391   118.34214
   54    52 S   HC   _H29   105     1.09511   112.62459    -1.80287
   55    52 S   HC   _H30   106     1.09506   110.17304  -121.76566
   56    50 S   CT   _C18    50     1.54894   114.49055    85.01110
   57    56 S   HC   _H23    51     1.09439   110.50771  -174.71977
   58    56 S   HC   _H24    52     1.09761   109.09537    69.18600
   59    50 S   OS   _O41    96     1.44534   109.63658   -40.42246
   60    56 S   CM   _C17    53     1.50244   112.96019   -50.31335
   61    60 S   HC   _H22    54     1.08920   113.67864    85.86712
   62    59 S   CO4  _C28    97     1.36165   117.94155  -151.15573
   63    62 S   O    _O42    98     1.22317   126.47125    -1.36372
   64    60 S   CM   _C16    55     1.34666   127.73130   -86.32649
   65    62 S   CT   _C29    99     1.49805   109.46776   178.34945
   66    65 S   HC   _H31   100     1.09271   109.69775   -64.05059
   67    65 S   HC   _H32   101     1.09371   109.37355   176.79729
   68    65 S   HC   _H33   102     1.09269   109.93940    57.89294
   69    64 S   CT   _C15    56     1.51503   119.35728   168.47277
   70    69 S   HC   _H20    57     1.09665   109.07741    34.16320
   71    69 S   HC   _H21    58     1.09704   108.45225   148.32622
   72    64 S   CT   _C30    92     1.50150   124.77653    -8.83633
   73    72 S   HC   _H34    93     1.09162   110.59995   111.81246
   74    72 S   HC   _H35    94     1.09207   113.24366    -9.11592
   75    72 S   HC   _H36    95     1.09515   110.09585  -128.47788
   76    69 S   CT   _C14    59     1.55344   115.68184   -88.01675
   77    76 S   HC   _H3_    60     1.09733   106.09743   175.19246
   78    76 S   OS   _O38    63     1.44694   110.45641   -67.78795
   79    78 S   CO4  _C13    64     1.35953   117.82600   -81.67601
   80    79 S   O    _O37    65     1.22307   125.69435     2.14968
   81    79 S   CM   _C10    66     1.49528   109.99639  -177.62875
   82    81 S   CM   _C11    67     1.34776   115.94725   168.31597
   83    82 S   HC   _H16    68     1.08929   119.44899    -0.05234
   84    81 S   CT   _C9_    74     1.50262   119.33361   -13.52999
   85    84 S   HC   _H14    75     1.09509   110.99471   -34.43026
   86    84 S   HC   _H15    76     1.09540   111.57108  -153.24396
   87    82 S   CT   _C12    69     1.49657   126.81629  -178.76726
   88    87 S   HC   _H17    70     1.09210   113.35648    10.23614
   89    87 S   HC   _H18    71     1.09420   109.76270  -112.04043
   90    84 S   OS   _O35    77     1.43345   108.44633    86.31872
   91    87 S   OH   _O36    72     1.42237   108.32072   129.76480
   92    91 S   HO   _H19    73     0.97229   106.99943   179.41617
   93    90 S   CO4  _C8_    78     1.35904   115.54870  -177.78274
   94    93 S   O    _O34    79     1.22291   126.02048     0.54285
   95    93 S   CM   _C6_    80     1.49122   109.50560  -179.42802
   96    95 S   CM   _C5_    81     1.34635   115.17758  -148.60448
   97    96 S   HC   _H10    82     1.08955   119.08428     0.40445
   98    95 S   CT   _C7_    87     1.49997   118.11354    30.73461
   99    98 S   HC   _H11    88     1.09476   111.07654   -56.67248
  100    98 S   HC   _H12    89     1.09166   113.10846  -177.30209
  101    96 S   CT   _C4_    83     1.49489   127.62134   179.50347
  102   101 S   HC   _H7_    84     1.09458   109.59739  -118.47451
  103   101 S   HC   _H8_    85     1.09467   109.52034   123.15104
  104   101 S   HC   _H9_    86     1.09111   113.94123     2.54707
  105    98 S   OH   _O33    90     1.42399   109.03441    62.96364
  106   105 S   HO   _H13    91     0.97236   106.79894  -176.48832
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4  10
   3   2   1   1  10   5   4   4   2   1   1   5   2   5   9   3
  11  10   5   7   3   2   4   3   2   5   1   1   9   3  11   9
   5   5   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    76    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    69    76    77    47    48    78  
   41    42    43    44    45    76    47    48  
   42    43    47  
   43    44    45    46    49    76    47    48  
   44    45    46    49    50    69    76    77    47    48    78    52  
   45    46    49    76    47    48  
   46    49    50    51    56    76    47    48    59    52    53    54    55  
   49    50    47    52  
   48    78    79    49    64    69    70    71    76    77  
   78    69    76    77  
   50    51    56    57    58    60    59    62    52    53    54    55  
   51    56    57    58    60    61    64    59    62    63    65    52    53    54    55  
   56    57    58    60    59    62    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    60    61    64    69    72    59    62  
   58    60    61    64    59  
   60    61    64    59  
   62    63    65    66    67    68    60  
   61    64    69    70    71    76    72    73    74    75  
   64    69    72  
   63    65    66    67    68  
   65    66    67    68  
   69    70    71    76    77    78    72    73    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    76    77    78    79    72    73    74    75  
   71    76    77    78    72  
   76    77    78    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    80    81  
   78    79  
   79    80    81    82    84  
   80    81    82    83    87    84    85    86    90  
   81    82    84  
   82    83    87    88    89    91    84    85    86    90    93  
   83    87    88    89    91    92    84    85    86    90  
   87    88    89    91    84  
   85    86    90    93    94    95    87  
   86    90    93  
   90    93  
   88    89    91    92  
   89    91    92  
   91    92  
   93    94    95    96    98  
   92  
    0  
   94    95    96    97   101    98    99   100   105  
   95    96    98  
   96    97   101   102   103   104    98    99   100   105   106  
   97   101   102   103   104    98    99   100   105  
  101   102   103   104    98  
   99   100   105   106   101  
  100   105   106  
  105   106  
  102   103   104  
  103   104  
  104  
    0  
  106  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   317.000  1.510
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    69   317.000  1.510
   64    72   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    47   268.000  1.529
   76    78   320.000  1.410
   47    48   340.000  1.090
   78    79   214.000  1.327
   79    80   570.000  1.229
   79    81   320.000  1.462
   81    82   549.000  1.340
   81    84   317.000  1.510
   82    83   340.000  1.080
   82    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   320.000  1.410
   91    92   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   320.000  1.410
   90    93   214.000  1.327
   93    94   570.000  1.229
   93    95   320.000  1.462
   95    96   549.000  1.340
   95    98   317.000  1.510
   96    97   340.000  1.080
   96   101   317.000  1.510
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   105   320.000  1.410
  105   106   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
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  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    76    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    76    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    85.00000  110.90400
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    60    70.00000  112.02700
   50    59    62    83.00000  116.90000
   56    50    51    37.50000  110.70000
   56    60    61    35.00000  117.00000
   56    60    64    70.00000  124.00000
   58    56    57    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    35.00000  109.50000
   60    64    69    70.00000  124.00000
   60    64    72    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    76    70.00000  112.02700
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    47    58.35000  112.70000
   69    76    78    50.00000  109.50000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    47    48    37.50000  110.70000
   76    78    79    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    76    77    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    76    47    50.00000  109.50000
   78    79    80    83.00000  123.40000
   78    79    81    90.00000  111.29400
   79    81    82    65.00000  118.96000
   79    81    84    65.00000  116.34900
   81    79    80    80.00000  123.72100
   81    82    83    35.00000  120.00000
   81    82    87    70.00000  124.00000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    90    85.00000  110.90400
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    91    90.00000  110.39200
   87    82    83    35.00000  117.00000
   87    91    92    55.00000  108.50000
   89    87    88    33.00000  107.80000
   91    87    88    35.00000  109.50000
   91    87    89    35.00000  109.50000
   84    81    82    70.00000  124.00000
   84    90    93    83.00000  116.90000
   86    84    85    33.00000  107.80000
   90    84    85    35.00000  109.50000
   90    84    86    35.00000  109.50000
   90    93    94    83.00000  123.40000
   90    93    95    90.00000  111.29400
   93    95    96    65.00000  118.96000
   93    95    98    65.00000  116.34900
   95    93    94    80.00000  123.72100
   95    96    97    35.00000  120.00000
   95    96   101    70.00000  124.00000
   95    98    99    35.00000  109.50000
   95    98   100    35.00000  109.50000
   95    98   105    90.00000  110.39200
   96   101   102    35.00000  109.50000
   96   101   103    35.00000  109.50000
   96   101   104    35.00000  109.50000
  101    96    97    35.00000  117.00000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   98    95    96    70.00000  124.00000
   98   105   106    55.00000  108.50000
  100    98    99    33.00000  107.80000
  105    98    99    35.00000  109.50000
  105    98   100    35.00000  109.50000
   72    64    69    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    81.00000  111.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   65    62    63    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    76   0.46850  1.0 1.0
   33    39    47    76   0.08550 -1.0 2.0
   33    39    47    76   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    76   0.09850  1.0 1.0
   40    39    47    76   0.15250 -1.0 2.0
   40    39    47    76  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    76   0.62750  1.0 1.0
   42    43    47    76  -0.30950 -1.0 2.0
   42    43    47    76   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    76   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    76   0.34400  1.0 1.0
   45    43    47    76   0.09450 -1.0 2.0
   45    43    47    76   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.39000  1.0 1.0
   45    49    50    59  -0.05800 -1.0 2.0
   45    49    50    59  -0.55150  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    60   0.31000  1.0 1.0
   49    50    56    60   0.14700 -1.0 2.0
   49    50    56    60   0.07550  1.0 3.0
   49    50    59    62  -0.82050  1.0 1.0
   49    50    59    62   0.00600 -1.0 2.0
   49    50    59    62   0.04400  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    60    61   0.00000  1.0 1.0
   50    56    60    64   0.09850  1.0 1.0
   50    56    60    64   0.15250 -1.0 2.0
   50    56    60    64  -0.50650  1.0 3.0
   50    59    62    63   3.00000 -1.0 2.0
   50    59    62    65   1.63150  1.0 1.0
   50    59    62    65   2.92000 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    59    62   0.08050  1.0 3.0
   56    50    59    62  -0.25900  1.0 1.0
   56    50    59    62  -0.47000 -1.0 2.0
   56    50    59    62   0.11750  1.0 3.0
   56    60    64    69   7.00000 -1.0 2.0
   56    60    64    72   7.00000 -1.0 2.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    64   0.00000  1.0 1.0
   58    56    60    61   0.33100  1.0 3.0
   58    56    60    64   0.00000  1.0 1.0
   60    64    69    70   0.00000  1.0 1.0
   60    64    69    71   0.00000  1.0 1.0
   60    64    69    76   0.09850  1.0 1.0
   60    64    69    76   0.15250 -1.0 2.0
   60    64    69    76  -0.50650  1.0 3.0
   60    64    72    73   0.00000  1.0 1.0
   60    64    72    74   0.00000  1.0 1.0
   60    64    72    75   0.00000  1.0 1.0
   61    60    64    69   7.00000 -1.0 2.0
   61    60    64    72   7.00000 -1.0 2.0
   64    69    76    77   0.15000  1.0 3.0
   64    69    76    47   0.34400  1.0 1.0
   64    69    76    47   0.09450 -1.0 2.0
   64    69    76    47   0.11100  1.0 3.0
   64    69    76    78   0.61850  1.0 1.0
   64    69    76    78  -0.22750 -1.0 2.0
   64    69    76    78   0.15300  1.0 3.0
   69    64    72    73   0.34800  1.0 3.0
   69    64    72    74   0.34800  1.0 3.0
   69    64    72    75   0.34800  1.0 3.0
   69    76    47    39   0.34400  1.0 1.0
   69    76    47    39   0.09450 -1.0 2.0
   69    76    47    39   0.11100  1.0 3.0
   69    76    47    43   0.56750  1.0 1.0
   69    76    47    43  -0.07550 -1.0 2.0
   69    76    47    43   0.20000  1.0 3.0
   69    76    47    48   0.15000  1.0 3.0
   69    76    78    79  -0.25900  1.0 1.0
   69    76    78    79  -0.47000 -1.0 2.0
   69    76    78    79   0.11750  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    47   0.15000  1.0 3.0
   70    69    76    78   0.23400  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    47   0.15000  1.0 3.0
   71    69    76    78   0.23400  1.0 3.0
   76    78    79    80   3.00000 -1.0 2.0
   76    78    79    81   2.00000 -1.0 2.0
   77    76    47    39   0.15000  1.0 3.0
   77    76    47    43   0.15000  1.0 3.0
   77    76    47    48   0.15000  1.0 3.0
   77    76    78    79   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    76    78    79  -0.25900  1.0 1.0
   47    76    78    79  -0.47000 -1.0 2.0
   47    76    78    79   0.11750  1.0 3.0
   78    76    47    39   0.61850  1.0 1.0
   78    76    47    39  -0.22750 -1.0 2.0
   78    76    47    39   0.15300  1.0 3.0
   78    76    47    43   0.62750  1.0 1.0
   78    76    47    43  -0.30950 -1.0 2.0
   78    76    47    43   0.27300  1.0 3.0
   78    76    47    48   0.23400  1.0 3.0
   78    79    81    82  -0.56150  1.0 1.0
   78    79    81    82   2.19150 -1.0 2.0
   78    79    81    84  -0.15000  1.0 1.0
   78    79    81    84   0.89550 -1.0 2.0
   78    79    81    84  -0.06900  1.0 3.0
   79    81    82    83   7.00000 -1.0 2.0
   79    81    82    87   7.00000 -1.0 2.0
   79    81    84    85   0.15000  1.0 3.0
   79    81    84    86   0.15000  1.0 3.0
   79    81    84    90   0.09700  1.0 1.0
   79    81    84    90   0.15600 -1.0 2.0
   79    81    84    90  -0.50800  1.0 3.0
   80    79    81    82   1.00000 -1.0 2.0
   80    79    81    84  -0.64400  1.0 1.0
   80    79    81    84   0.26850 -1.0 2.0
   81    82    87    88   0.00000  1.0 1.0
   81    82    87    89   0.00000  1.0 1.0
   81    82    87    91   0.67800  1.0 1.0
   81    82    87    91   0.47050 -1.0 2.0
   81    82    87    91  -0.62500  1.0 3.0
   81    84    90    93  -0.82050  1.0 1.0
   81    84    90    93   0.00600 -1.0 2.0
   81    84    90    93   0.04400  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   82    81    84    90   0.39000  1.0 1.0
   82    81    84    90  -0.05800 -1.0 2.0
   82    81    84    90  -0.55150  1.0 3.0
   82    87    91    92  -0.07800  1.0 1.0
   82    87    91    92  -0.21500 -1.0 2.0
   82    87    91    92  -0.03150  1.0 3.0
   83    82    87    88   0.33100  1.0 3.0
   83    82    87    89   0.33100  1.0 3.0
   83    82    87    91   0.00000  1.0 1.0
   88    87    91    92   0.19450  1.0 3.0
   89    87    91    92   0.19450  1.0 3.0
   84    81    82    83   7.00000 -1.0 2.0
   84    81    82    87   7.00000 -1.0 2.0
   84    90    93    94   3.00000 -1.0 2.0
   84    90    93    95   2.00000 -1.0 2.0
   85    84    90    93   0.08050  1.0 3.0
   86    84    90    93   0.08050  1.0 3.0
   90    93    95    96  -0.56150  1.0 1.0
   90    93    95    96   2.19150 -1.0 2.0
   90    93    95    98  -0.15000  1.0 1.0
   90    93    95    98   0.89550 -1.0 2.0
   90    93    95    98  -0.06900  1.0 3.0
   93    95    96    97   7.00000 -1.0 2.0
   93    95    96   101   7.00000 -1.0 2.0
   93    95    98    99   0.15000  1.0 3.0
   93    95    98   100   0.15000  1.0 3.0
   93    95    98   105   0.09700  1.0 1.0
   93    95    98   105   0.15600 -1.0 2.0
   93    95    98   105  -0.50800  1.0 3.0
   94    93    95    96   1.00000 -1.0 2.0
   94    93    95    98  -0.64400  1.0 1.0
   94    93    95    98   0.26850 -1.0 2.0
   95    96   101   102   0.00000  1.0 1.0
   95    96   101   103   0.00000  1.0 1.0
   95    96   101   104   0.00000  1.0 1.0
   95    98   105   106  -0.07800  1.0 1.0
   95    98   105   106  -0.21500 -1.0 2.0
   95    98   105   106  -0.03150  1.0 3.0
   96    95    98    99   0.00000  1.0 1.0
   96    95    98   100   0.00000  1.0 1.0
   96    95    98   105   0.67800  1.0 1.0
   96    95    98   105   0.47050 -1.0 2.0
   96    95    98   105  -0.62500  1.0 3.0
   97    96   101   102   0.33100  1.0 3.0
   97    96   101   103   0.33100  1.0 3.0
   97    96   101   104   0.33100  1.0 3.0
   98    95    96    97   7.00000 -1.0 2.0
   98    95    96   101   7.00000 -1.0 2.0
   99    98   105   106   0.19450  1.0 3.0
  100    98   105   106   0.19450  1.0 3.0
   72    64    69    70   0.34800  1.0 3.0
   72    64    69    71   0.34800  1.0 3.0
   72    64    69    76   0.46850  1.0 1.0
   72    64    69    76   0.08550 -1.0 2.0
   72    64    69    76   0.09800  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    60   0.61850  1.0 1.0
   59    50    56    60  -0.22750 -1.0 2.0
   59    50    56    60   0.15300  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.00000  1.0 1.0
   59    62    65    68   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.09700  1.0 1.0
   52    49    50    59   0.15600 -1.0 2.0
   52    49    50    59  -0.50800  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
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   56    61    60    64   1.10000 -1.0 2.0
   69    72    64    60   1.10000 -1.0 2.0
   78    81    79    80  10.50000 -1.0 2.0
   79    84    81    82  15.00000 -1.0 2.0
   87    83    82    81  15.00000 -1.0 2.0
   90    95    93    94  10.50000 -1.0 2.0
   93    98    95    96  15.00000 -1.0 2.0
  101    97    96    95  15.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
END
