* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    208    302     604
    1     0 S   NP   _N1_     1    28.58316    94.19171   -21.31571
    2     1 S   H    _HN1     2     1.02961    92.78515    22.94079
    3     1 S   H    _H1_     3     1.02837    28.73952   144.39928
    4     1 S   H    _H2_     4     1.02779    89.78428   -85.38657
    5     1 S   CT   _CA1     5     1.50103   139.42006   149.34856
    6     5 S   HC   _HA1     6     1.09567   105.29055    56.71712
    7     5 S   CO3  _C1_     7     1.53819   112.32726   -63.65652
    8     7 S   O2Z  _O11     8     1.26362   115.01048   -44.83983
    9     7 S   O2Z  _O12     9     1.26227   114.94713   134.45347
   10     5 S   CT   _CB1    10     1.53095   107.44758   174.75555
   11    10 S   HC   HB11    11     1.09821   109.51182   -49.85682
   12    10 S   HC   HB12    12     1.09825   110.34385    66.74124
   13    10 S   CT   _CG1    13     1.52997   112.61410  -170.93542
   14    13 S   HC   HG11    14     1.09496   110.42176   -59.87433
   15    13 S   HC   HG12    15     1.09634   110.08162    59.25921
   16    13 S   C    _CD1    16     1.51767   112.22613   179.57204
   17    16 S   O    _OE1    17     1.22731   123.18068    -8.70225
   18    16 S   N    _N2_    18     1.38611   111.70178   171.86197
   19    18 S   H    _HN2    19     1.01593   119.12569     1.21933
   20    18 S   CT1  _CA2    20     1.46190   123.33281  -179.25822
   21    20 S   HC   _HA2    21     1.09730   109.39837    -7.43149
   22    20 S   C    _C2_    22     1.53449   108.42646  -123.11867
   23    22 S   O    _O2_    23     1.23024   122.23817  -145.78651
   24    20 S   CT   _CB2    32     1.53369   111.52919   114.51417
   25    24 S   HC   HB21    33     1.09598   109.82329    56.74509
   26    24 S   HC   HB22    34     1.09439   110.10573   175.61733
   27    22 S   N    _N3_    24     1.38513   113.43995    41.59604
   28    27 S   H    _HN3    25     1.01510   118.93387    -0.59807
   29    24 S   S    _SG2    35     1.82802   111.83183   -64.02711
   30    27 S   CT   _CA3    26     1.45448   123.44346   175.14102
   31    30 S   HC   HA31    27     1.09523   109.24194    24.47176
   32    30 S   HC   HA32    28     1.09496   107.12334   141.47246
   33    29 S   CT   _C16    36     1.84714    99.26183   173.87980
   34    33 S   HC   _H9_    37     1.09432   107.32403   -34.98089
   35    30 S   CO3  _C3_    29     1.52921   113.09738   -99.01052
   36    35 S   O2Z  _O31    30     1.26405   115.39520   -44.80563
   37    35 S   O2Z  _O32    31     1.26355   114.98881   136.12550
   38    33 S   CM   _C15    38     1.51040   107.14104  -150.92959
   39    38 S   HC   _H18    39     1.08756   117.04323   -95.98162
   40    33 S   CT   _C17    75     1.55437   111.11468    82.13404
   41    40 S   HC   _H10    76     1.10125   106.61525   -52.16419
   42    38 S   CM   _C14    40     1.34430   126.73435    86.27745
   43    42 S   HC   _H17    41     1.08925   116.89985   177.53772
   44    40 S   CT   _C27    77     1.53783   115.88709    63.99774
   45    44 S   HC   _H25    78     1.09391   112.66161    61.68550
   46    44 S   HC   _H26    79     1.09401   111.56536   -59.98086
   47    44 S   HC   _H27    80     1.09632   110.16585  -178.95414
   48    42 S   CT   _C13    42     1.51174   127.35715    -5.20421
   49    48 S   HC   _H8_    43     1.09563   110.04333   -21.25568
   50    48 S   CT   _C12    44     1.55422   113.87741   100.54854
   51    50 S   HC   _H7_    45     1.09912   109.07878   162.18992
   52    48 S   OS   _O37   111     1.43851   108.57157  -139.46940
   53    50 S   CM   _C11    46     1.53388   114.37315    43.42357
   54    50 S   OS   _O38   105     1.44885   109.06980   -80.94449
   55    52 S   CT   _C28   112     1.42264   113.14158    85.04805
   56    55 S   HC   _H28   113     1.09312   108.17855  -178.72206
   57    55 S   HC   _H29   114     1.09370   110.19986    62.82992
   58    55 S   HC   _H30   115     1.09376   111.08267   -59.66264
   59    53 S   CM   _C10    47     1.35207   122.66471  -104.67204
   60    59 S   HC   _H16    48     1.08777   118.05879     0.50590
   61    53 S   CT   _C30   101     1.50989   113.77503    75.90967
   62    61 S   HC   _H33   102     1.09414   110.37045   -79.94303
   63    61 S   HC   _H34   103     1.09217   113.40220   158.42135
   64    61 S   HC   _H35   104     1.09548   110.54317    39.90109
   65    54 S   CO4  _C29   106     1.36360   117.28378   -80.15588
   66    65 S   O    _O39   107     1.22539   125.72286    -0.77228
   67    59 S   CT   _C9_    49     1.51662   127.07284   177.48549
   68    67 S   HC   _H6_    50     1.09637   107.86925   -11.52925
   69    65 S   N    _N5_   108     1.36704   110.33314   178.54572
   70    69 S   H    _H31   109     1.01264   121.48198  -179.44468
   71    69 S   H    _H32   110     1.01584   120.44570     0.26980
   72    67 S   CT   _C8_    51     1.55196   114.48784   105.59683
   73    72 S   HC   _H5_    52     1.09674   106.00951  -155.11313
   74    67 S   CT   _C31    97     1.53148   110.40999  -125.52421
   75    74 S   HC   _H36    98     1.09447   112.27389   -60.69816
   76    74 S   HC   _H37    99     1.09527   110.69981   178.33399
   77    74 S   HC   _H38   100     1.09620   110.63407    59.17514
   78    72 S   CT   _C7_    53     1.54954   118.79301    84.79963
   79    78 S   HC   _H4_    54     1.09676   109.08742    59.34383
   80    72 S   OH   _O40    95     1.43273   110.12454   -42.09647
   81    80 S   HO   _H39    96     0.97179   107.65499   -53.18048
   82    78 S   CT   _C6_    55     1.54332   114.48866   -61.80911
   83    82 S   HC   _H14    56     1.09299   108.57227    69.96041
   84    82 S   HC   _H15    57     1.09709   109.19805   -46.93002
   85    78 S   OS   _O41    90     1.44083   109.10807   177.88197
   86    82 S   CT   _C5_    58     1.54917   114.69242  -167.79484
   87    86 S   HC   _H3_    59     1.09874   107.12763    62.11407
   88    85 S   CT   _C32    91     1.42094   114.04251   -80.82212
   89    88 S   HC   _H40    92     1.09351   108.04868  -174.93593
   90    88 S   HC   _H41    93     1.09248   111.25622    66.57917
   91    88 S   HC   _H42    94     1.09400   110.78919   -56.41665
   92    86 S   CT   _C24    60     1.55193   112.36107   177.34008
   93    92 S   HC   _H20    61     1.09788   109.35808   -48.46796
   94    92 S   HC   _H21    62     1.09866   107.27299  -160.46163
   95    86 S   CT   _C4_    86     1.53226   112.44070   -55.00190
   96    95 S   HC   _H11    87     1.09472   111.65728   -56.68518
   97    95 S   HC   _H12    88     1.09459   110.82754  -177.92208
   98    95 S   HC   _H13    89     1.09381   111.40642    63.70460
   99    92 S   CM   _C23    63     1.51776   116.94823    76.92353
  100    99 S   CM   _C22    64     1.34600   122.63977    95.85049
  101   100 S   CO4  _C21    65     1.48502   121.34719  -177.82237
  102   101 S   O    _O36    66     1.22688   122.14802   175.14514
  103   100 S   OS   _O35    81     1.38549   121.32964    -2.94696
  104   101 S   CM   _C20    67     1.46881   117.62282    -4.33928
  105   104 S   HC   _H19    68     1.08533   116.66502  -178.67411
  106   103 S   CT   _C26    82     1.42671   111.08080   106.79467
  107   106 S   HC   _H22    83     1.09398   107.83681  -174.62677
  108   106 S   HC   _H23    84     1.09425   111.48200    66.98199
  109   106 S   HC   _H24    85     1.09560   111.08174   -56.35336
  110   104 S   CM   _C19    69     1.33689   122.47902     1.62967
  111    99 S   CO4  _C25    70     1.49452   117.25126   -88.81155
  112   111 S   O    _O34    71     1.22783   120.84666    -3.61162
  113   110 S   NI   _N4_    72     1.37574   120.79129  -177.98113
  114   113 S   CD   _C18    73     1.31042   118.18743   -97.12242
  115   114 S   OM   _O33    74     1.25282   130.71544    -4.58159
  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   9   5   4   3
  15   7   2   1   1  11   4  10   7   9   4   6   3   2   1  13
   6  15   6   6  12   7   3   2   1   1  15   5   4   2   1   1
   4   3  13   8   2   1   1  15   7   5   2   1   1  15   7   3
   1  14   6   5   5  11   8   3   2   1   1  13   5   4   4   2
   1   1  10  12   8   4   6   6   3   3   2   1   1   5   3   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42   114    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48   113   114   115    40    41    44    45    46    47  
   38    39    42   114    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50   114    40    41    44    52  
   42    43    48    40  
   41    44    45    46    47    42   110   113   114   115  
   44    45    46    47   113   114   115  
   43    48    49    50    51    53    54    52    55  
   48    49    50    52  
   45    46    47   113   114   115  
   46    47   114  
   47   114  
  114  
   49    50    51    53    59    61    54    65    52    55    56    57    58  
   50    51    53    54    52    55  
   51    53    59    60    67    61    62    63    64    54    65    66    69    52    55  
   53    59    61    54    65    52  
   55    56    57    58    53    54  
   59    60    67    68    72    74    61    62    63    64    54    65  
   65    66    69    70    71    59    61  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    72    73    78    80    74    75    76    77    61    62    63    64  
   67    68    72    74    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    69    70    71  
   69    70    71  
   68    72    73    78    79    82    85    80    81    74    75    76    77  
   72    73    78    80    74    75    76    77  
   70    71  
   71  
    0  
   73    78    79    82    83    84    86    85    88    80    81    74    75    76    77  
   78    79    82    85    80    81    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    82    83    84    86    87    92    95    85    88    89    90    91    80    81  
   82    83    84    86    85    88    80  
   81    82    85  
    0  
   83    84    86    87    92    93    94    99    95    96    97    98    85    88  
   84    86    87    92    95    85  
   86    87    92    95    85  
   88    89    90    91    86  
   87    92    93    94    99   100   111    95    96    97    98  
   92    93    94    99    95    96    97    98  
   89    90    91  
   90    91  
   91  
    0  
   93    94    99   100   101   110   111   112   103    95    96    97    98  
   94    99   100   111    95  
   99   100   111    95  
   96    97    98    99  
   97    98  
   98  
    0  
  100   101   102   104   110   111   112   113   103   106  
  101   102   104   105   110   111   112   103   106   107   108   109  
  102   104   105   110   111   113   103   106  
  104   105   110   103  
  106   107   108   109   104   111  
  105   110   111   112   113   114  
  110   111   113  
  107   108   109  
  108   109  
  109  
    0  
  111   112   113   114   115  
  112   113   114  
  113  
  114   115  
  115  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
  101   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  103   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
  111   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  113   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
  114   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
  115   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    54   320.000  1.410
   53    59   549.000  1.340
   53    61   317.000  1.510
   59    60   340.000  1.080
   59    67   317.000  1.510
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    92   268.000  1.529
   86    95   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   317.000  1.510
   99   100   549.000  1.340
   99   111   320.000  1.462
  100   101   320.000  1.462
  100   103   440.000  1.360
  101   102   570.000  1.229
  101   104   320.000  1.462
  104   105   340.000  1.080
  104   110   549.000  1.340
  110   111   320.000  1.462
  110   113   405.000  1.380
  111   112   570.000  1.229
  113   114   500.000  1.261
  114   115   795.000  1.237
  114    40   270.000  1.508
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
  103   106   320.000  1.410
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   85    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   80    81   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    65   214.000  1.327
   65    66   570.000  1.229
   65    69   435.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40   114    70.00000  111.76100
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    54    50.00000  109.50000
   48    52    55    60.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    59    70.00000  124.00000
   50    53    61    65.00000  117.92700
   50    54    65    83.00000  116.90000
   53    50    51    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    67    70.00000  124.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    72    70.00000  112.02700
   59    67    74    70.00000  112.02700
   67    59    60    35.00000  117.00000
   67    72    73    37.50000  110.70000
   67    72    78    58.35000  112.70000
   67    72    80    50.00000  109.50000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    67    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    82    58.35000  112.70000
   72    78    85    50.00000  109.50000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    86    58.35000  112.70000
   78    85    88    60.00000  109.50000
   82    78    79    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    92    58.35000  112.70000
   82    86    95    58.35000  112.70000
   84    82    83    33.00000  107.80000
   86    82    83    37.50000  110.70000
   86    82    84    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    99    70.00000  112.02700
   86    95    96    37.50000  110.70000
   86    95    97    37.50000  110.70000
   86    95    98    37.50000  110.70000
   92    86    87    37.50000  110.70000
   92    99   100    70.00000  124.00000
   92    99   111    65.00000  116.34900
   94    92    93    33.00000  107.80000
   99    92    93    35.00000  109.50000
   99    92    94    35.00000  109.50000
   99   100   101    65.00000  118.96000
   99   100   103    80.00000  120.01400
   99   111   110    65.00000  118.65900
   99   111   112    80.00000  123.72100
  100   101   102    80.00000  123.72100
  100   101   104    65.00000  118.65900
  100   103   106    90.00000  111.18400
  101   104   105    40.00000  117.72500
  101   104   110    65.00000  118.96000
  104   101   102    80.00000  123.72100
  104   110   111    65.00000  118.96000
  104   110   113    70.00000  120.83400
  110   104   105    35.00000  120.00000
  110   111   112    80.00000  123.72100
  110   113   114    75.00000  115.77100
  111    99   100    65.00000  118.96000
  113   110   111    85.00000  113.88000
  113   114   115    75.00000  134.47000
  113   114    40    65.00000  122.10100
  114    40    41    45.00000  109.49600
  114    40    44    70.00000  111.76100
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   114   115    75.00000  122.80800
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
  103   100   101    85.00000  116.28000
  103   106   107    35.00000  109.50000
  103   106   108    35.00000  109.50000
  103   106   109    35.00000  109.50000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   95    86    87    37.50000  110.70000
   95    86    92    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    82    50.00000  109.50000
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    67    68    37.50000  110.70000
   74    67    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    53    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    53    85.00000  110.90400
   54    65    66    83.00000  123.40000
   54    65    69   110.00000  108.75700
   65    69    70    50.00000  116.34900
   65    69    71    50.00000  116.34900
   69    65    66    85.00000  125.96000
   71    69    70    35.00000  120.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40   114   0.56750  1.0 1.0
   29    33    40   114  -0.07550 -1.0 2.0
   29    33    40   114   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40   114   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40   114   0.31000  1.0 1.0
   38    33    40   114   0.14700 -1.0 2.0
   38    33    40   114   0.07550  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    52   0.39000  1.0 1.0
   38    42    48    52  -0.05800 -1.0 2.0
   38    42    48    52  -0.55150  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    53   0.31000  1.0 1.0
   42    48    50    53   0.14700 -1.0 2.0
   42    48    50    53   0.07550  1.0 3.0
   42    48    50    54   0.61850  1.0 1.0
   42    48    50    54  -0.22750 -1.0 2.0
   42    48    50    54   0.15300  1.0 3.0
   42    48    52    55  -0.77900  1.0 1.0
   42    48    52    55  -0.36900 -1.0 2.0
   42    48    52    55   0.40400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    52   0.00000  1.0 1.0
   48    50    53    59   0.09850  1.0 1.0
   48    50    53    59   0.15250 -1.0 2.0
   48    50    53    59  -0.50650  1.0 3.0
   48    50    53    61   0.46850  1.0 1.0
   48    50    53    61   0.08550 -1.0 2.0
   48    50    53    61   0.09800  1.0 3.0
   48    50    54    65  -0.25900  1.0 1.0
   48    50    54    65  -0.47000 -1.0 2.0
   48    50    54    65   0.11750  1.0 3.0
   48    52    55    56   0.37050  1.0 3.0
   48    52    55    57   0.37050  1.0 3.0
   48    52    55    58   0.37050  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    54   0.23400  1.0 3.0
   49    48    52    55   0.37050  1.0 3.0
   50    48    52    55   0.06250  1.0 1.0
   50    48    52    55  -0.01100 -1.0 2.0
   50    48    52    55   0.28050  1.0 3.0
   50    53    59    60   7.00000 -1.0 2.0
   50    53    59    67   7.00000 -1.0 2.0
   50    53    61    62   0.34800  1.0 3.0
   50    53    61    63   0.34800  1.0 3.0
   50    53    61    64   0.34800  1.0 3.0
   50    54    65    66   3.00000 -1.0 2.0
   50    54    65    69  -0.80800  1.0 1.0
   50    54    65    69   2.06850 -1.0 2.0
   51    50    53    59   0.00000  1.0 1.0
   51    50    53    61   0.34800  1.0 3.0
   51    50    54    65   0.08050  1.0 3.0
   53    50    54    65  -0.82050  1.0 1.0
   53    50    54    65   0.00600 -1.0 2.0
   53    50    54    65   0.04400  1.0 3.0
   53    59    67    68   0.00000  1.0 1.0
   53    59    67    72   0.09850  1.0 1.0
   53    59    67    72   0.15250 -1.0 2.0
   53    59    67    72  -0.50650  1.0 3.0
   53    59    67    74   0.09850  1.0 1.0
   53    59    67    74   0.15250 -1.0 2.0
   53    59    67    74  -0.50650  1.0 3.0
   59    53    61    62   0.00000  1.0 1.0
   59    53    61    63   0.00000  1.0 1.0
   59    53    61    64   0.00000  1.0 1.0
   59    67    72    73   0.15000  1.0 3.0
   59    67    72    78   0.34400  1.0 1.0
   59    67    72    78   0.09450 -1.0 2.0
   59    67    72    78   0.11100  1.0 3.0
   59    67    72    80   1.05650  1.0 1.0
   59    67    72    80   0.15600 -1.0 2.0
   59    67    72    80   0.53150  1.0 3.0
   59    67    74    75   0.15000  1.0 3.0
   59    67    74    76   0.15000  1.0 3.0
   59    67    74    77   0.15000  1.0 3.0
   60    59    67    68   0.33100  1.0 3.0
   60    59    67    72   0.00000  1.0 1.0
   60    59    67    74   0.00000  1.0 1.0
   67    72    78    79   0.15000  1.0 3.0
   67    72    78    82   0.56750  1.0 1.0
   67    72    78    82  -0.07550 -1.0 2.0
   67    72    78    82   0.20000  1.0 3.0
   67    72    78    85   0.62750  1.0 1.0
   67    72    78    85  -0.30950 -1.0 2.0
   67    72    78    85   0.27300  1.0 3.0
   67    72    80    81  -0.11600  1.0 1.0
   67    72    80    81  -0.09450 -1.0 2.0
   67    72    80    81   0.21250  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    78   0.15000  1.0 3.0
   68    67    72    80   0.23400  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   72    67    74    75   0.15000  1.0 3.0
   72    67    74    76   0.15000  1.0 3.0
   72    67    74    77   0.15000  1.0 3.0
   72    78    82    83   0.15000  1.0 3.0
   72    78    82    84   0.15000  1.0 3.0
   72    78    82    86   0.56750  1.0 1.0
   72    78    82    86  -0.07550 -1.0 2.0
   72    78    82    86   0.20000  1.0 3.0
   72    78    85    88   0.06250  1.0 1.0
   72    78    85    88  -0.01100 -1.0 2.0
   72    78    85    88   0.28050  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    82   0.15000  1.0 3.0
   73    72    78    85   0.23400  1.0 3.0
   73    72    80    81   0.19450  1.0 3.0
   78    72    80    81  -0.11600  1.0 1.0
   78    72    80    81  -0.09450 -1.0 2.0
   78    72    80    81   0.21250  1.0 3.0
   78    82    86    87   0.15000  1.0 3.0
   78    82    86    92   0.56750  1.0 1.0
   78    82    86    92  -0.07550 -1.0 2.0
   78    82    86    92   0.20000  1.0 3.0
   78    82    86    95   0.56750  1.0 1.0
   78    82    86    95  -0.07550 -1.0 2.0
   78    82    86    95   0.20000  1.0 3.0
   78    85    88    89   0.37050  1.0 3.0
   78    85    88    90   0.37050  1.0 3.0
   78    85    88    91   0.37050  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    86   0.15000  1.0 3.0
   79    78    85    88   0.37050  1.0 3.0
   82    78    85    88   0.06250  1.0 1.0
   82    78    85    88  -0.01100 -1.0 2.0
   82    78    85    88   0.28050  1.0 3.0
   82    86    92    93   0.15000  1.0 3.0
   82    86    92    94   0.15000  1.0 3.0
   82    86    92    99   0.34400  1.0 1.0
   82    86    92    99   0.09450 -1.0 2.0
   82    86    92    99   0.11100  1.0 3.0
   82    86    95    96   0.15000  1.0 3.0
   82    86    95    97   0.15000  1.0 3.0
   82    86    95    98   0.15000  1.0 3.0
   83    82    86    87   0.15000  1.0 3.0
   83    82    86    92   0.15000  1.0 3.0
   83    82    86    95   0.15000  1.0 3.0
   84    82    86    87   0.15000  1.0 3.0
   84    82    86    92   0.15000  1.0 3.0
   84    82    86    95   0.15000  1.0 3.0
   86    92    99   100   0.09850  1.0 1.0
   86    92    99   100   0.15250 -1.0 2.0
   86    92    99   100  -0.50650  1.0 3.0
   86    92    99   111   0.09700  1.0 1.0
   86    92    99   111   0.15600 -1.0 2.0
   86    92    99   111  -0.50800  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    99   0.15000  1.0 3.0
   87    86    95    96   0.15000  1.0 3.0
   87    86    95    97   0.15000  1.0 3.0
   87    86    95    98   0.15000  1.0 3.0
   92    86    95    96   0.15000  1.0 3.0
   92    86    95    97   0.15000  1.0 3.0
   92    86    95    98   0.15000  1.0 3.0
   92    99   100   101   7.00000 -1.0 2.0
   92    99   100   103   7.00000 -1.0 2.0
   92    99   111   110   1.50000 -1.0 2.0
   92    99   111   112  -0.64400  1.0 1.0
   92    99   111   112   0.26850 -1.0 2.0
   93    92    99   100   0.00000  1.0 1.0
   93    92    99   111   0.15000  1.0 3.0
   94    92    99   100   0.00000  1.0 1.0
   94    92    99   111   0.15000  1.0 3.0
   99   100   101   102   1.00000 -1.0 2.0
   99   100   101   104  -1.18350  1.0 1.0
   99   100   101   104   1.45950 -1.0 2.0
   99   100   103   106  -2.26850  1.0 1.0
   99   100   103   106   3.39050 -1.0 2.0
  100    99   111   110  -1.18350  1.0 1.0
  100    99   111   110   1.45950 -1.0 2.0
  100    99   111   112   1.00000 -1.0 2.0
  100   101   104   105   0.93700 -1.0 2.0
  100   101  -104   110  -1.18350  1.0 1.0
  100   101  -104   110   1.45950 -1.0 2.0
  100   103   106   107   0.08050  1.0 3.0
  100   103   106   108   0.08050  1.0 3.0
  100   103   106   109   0.08050  1.0 3.0
  101   100   103   106   0.15100 -1.0 2.0
  101   104   110   111   7.00000 -1.0 2.0
  101   104   110   113   7.00000 -1.0 2.0
  102   101   104   105   0.00000  1.0 1.0
  102   101   104   110   1.00000 -1.0 2.0
  104   110  -111    99  -1.18350  1.0 1.0
  104   110  -111    99   1.45950 -1.0 2.0
  104   110   111   112   1.00000 -1.0 2.0
  104   110   113   114   1.00000 -1.0 2.0
  105   104   110   111   7.00000 -1.0 2.0
  105   104   110   113   7.00000 -1.0 2.0
  110   113   114   115   6.00000 -1.0 2.0
  110   113   114    40   6.00000 -1.0 2.0
  111    99  -100   101   7.00000 -1.0 2.0
  111    99   100   103   7.00000 -1.0 2.0
  111   110   113   114   1.00000 -1.0 2.0
  113   110   111    99   1.50000 -1.0 2.0
  113   110   111   112  -0.52200  1.0 1.0
  113   110   111   112   0.82950 -1.0 2.0
  113   114    40    33   0.00000  1.0 1.0
  113   114    40    41   0.00000  1.0 1.0
  113   114    40    44   0.00000  1.0 1.0
  114    40    44    45   0.15000  1.0 3.0
  114    40    44    46   0.15000  1.0 3.0
  114    40    44    47   0.15000  1.0 3.0
  115   114    40    33   0.00000  1.0 1.0
  115   114    40    41   0.00000  1.0 1.0
  115   114    40    44   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
  103   100   101   102  -0.11900  1.0 1.0
  103   100   101   102   0.76850 -1.0 2.0
  103   100   101   102   0.14100  1.0 3.0
  103   100   101   104   1.50000 -1.0 2.0
   95    86    92    93   0.15000  1.0 3.0
   95    86    92    94   0.15000  1.0 3.0
   95    86    92    99   0.34400  1.0 1.0
   95    86    92    99   0.09450 -1.0 2.0
   95    86    92    99   0.11100  1.0 3.0
   85    78    82    83   0.23400  1.0 3.0
   85    78    82    84   0.23400  1.0 3.0
   85    78    82    86   0.62750  1.0 1.0
   85    78    82    86  -0.30950 -1.0 2.0
   85    78    82    86   0.27300  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    82   0.86500  1.0 1.0
   80    72    78    82  -0.17500 -1.0 2.0
   80    72    78    82   0.20800  1.0 3.0
   80    72    78    85   3.69350  1.0 1.0
   80    72    78    85  -1.82950 -1.0 2.0
   74    67    72    73   0.15000  1.0 3.0
   74    67    72    78   0.56750  1.0 1.0
   74    67    72    78  -0.07550 -1.0 2.0
   74    67    72    78   0.20000  1.0 3.0
   74    67    72    80   0.86500  1.0 1.0
   74    67    72    80  -0.17500 -1.0 2.0
   74    67    72    80   0.20800  1.0 3.0
   61    53    59    60   7.00000 -1.0 2.0
   61    53    59    67   7.00000 -1.0 2.0
   54    50    53    59   0.39000  1.0 1.0
   54    50    53    59  -0.05800 -1.0 2.0
   54    50    53    59  -0.55150  1.0 3.0
   54    50    53    61   0.09700  1.0 1.0
   54    50    53    61   0.15600 -1.0 2.0
   54    50    53    61  -0.50800  1.0 3.0
   54    65    69    70   2.56700 -1.0 2.0
   54    65    69    71   2.56700 -1.0 2.0
   66    65    69    70   2.45000 -1.0 2.0
   66    65    69    71   2.45000 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    54   1.11900  1.0 1.0
   52    48    50    54  -1.16350 -1.0 2.0
   52    48    50    54  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   50    61    53    59   1.10000 -1.0 2.0
   67    60    59    53   1.10000 -1.0 2.0
   92   111    99   100   1.10000 -1.0 2.0
  101   103   100    99   1.10000 -1.0 2.0
  100   104   101   102  10.50000 -1.0 2.0
  101   105   104   110   1.10000 -1.0 2.0
  111   113   110   104   1.10000 -1.0 2.0
   99   110   111   112  10.50000 -1.0 2.0
   40   115   114   113  10.50000 -1.0 2.0
   54    69    65    66  10.50000 -1.0 2.0
   71    65    69    70   1.00000 -1.0 2.0
END
