* LIGAND DATABASE FILE (OPLS2005)
*
001     113   114    201    310     591
    1     0 S   NP   _N1_     1    30.85096   104.00012   -20.10038
    2     1 S   H    _HN1     2     1.02774    80.63370   -84.88322
    3     1 S   H    _H1_     3     1.02966    37.96977    52.17972
    4     1 S   H    _H2_     4     1.02848    92.12729   167.22945
    5     1 S   CT   _CA1     5     1.50177   147.07227    32.16141
    6     5 S   HC   _HA1     6     1.09576   105.14319  -169.80231
    7     5 S   CO3  _C1_     7     1.53630   112.61472    70.27992
    8     7 S   O2Z  _O11     8     1.26359   115.01472   -35.43118
    9     7 S   O2Z  _O12     9     1.26251   115.05141   143.77397
   10     5 S   CT   _CB1    10     1.53117   107.43875   -51.87848
   11    10 S   HC   HB11    11     1.09828   109.01665   -50.65092
   12    10 S   HC   HB12    12     1.09815   110.43848    65.78289
   13    10 S   CT   _CG1    13     1.53091   112.94035  -171.83463
   14    13 S   HC   HG11    14     1.09593   110.54272   -70.23894
   15    13 S   HC   HG12    15     1.09671   109.83562    49.00780
   16    13 S   C    _CD1    16     1.51872   112.31849   169.21351
   17    16 S   O    _OE1    17     1.22750   123.27766     5.89648
   18    16 S   N    _N2_    18     1.38603   111.80957  -174.04629
   19    18 S   H    _HN2    19     1.01598   118.98221     2.18839
   20    18 S   CT1  _CA2    20     1.45966   122.81354   174.69814
   21    20 S   HC   _HA2    21     1.09646   110.13441    20.54865
   22    20 S   C    _C2_    22     1.52671   104.31607   -96.95820
   23    22 S   O    _O2_    23     1.23019   122.41784   -79.54478
   24    20 S   CT   _CB2    32     1.53080   111.69351   144.29471
   25    24 S   HC   HB21    33     1.09418   110.33796    48.37366
   26    24 S   HC   HB22    34     1.09545   110.17888   167.42741
   27    22 S   N    _N3_    24     1.38396   113.05305    96.17505
   28    27 S   H    _HN3    25     1.01686   120.30835     0.25256
   29    24 S   S    _SG2    35     1.82474   110.80355   -73.23976
   30    27 S   CT   _CA3    26     1.45340   122.41795  -178.04025
   31    30 S   HC   HA31    27     1.09567   107.69213   -57.92515
   32    30 S   HC   HA32    28     1.09570   107.69076    58.35687
   33    29 S   CT   _C20    36     1.85594    99.79951   167.40582
   34    33 S   HC   _H4_    37     1.09878   105.63086    26.94004
   35    30 S   CO3  _C3_    29     1.52868   114.44066  -179.90513
   36    35 S   O2Z  _O31    30     1.26316   116.11295    -1.76758
   37    35 S   O2Z  _O32    31     1.26446   114.37830   178.30361
   38    33 S   CT   _C21    38     1.53068   109.23811   143.11515
   39    38 S   HC   _H5_    39     1.09607   112.40913    59.14273
   40    38 S   CO4  _C22    40     1.52230   110.68465  -179.62675
   41    40 S   O    _O34    41     1.23274   121.34378   147.93121
   42    38 S   OH   _O35   112     1.42464   109.98207   -61.79863
   43    42 S   HO   _H28   113     0.97332   107.41656   179.46041
   44    40 S   CM   _C17    42     1.49946   118.94005   -34.34258
   45    44 S   CM   _C18    43     1.34183   118.65479     5.30275
   46    45 S   HC   _H27    44     1.08647   120.11989  -177.38581
   47    44 S   N    _N4_    75     1.38240   114.87863  -173.80704
   48    47 S   H    _H26    76     1.01758   113.62571    -0.20463
   49    33 S   CT   _C19    45     1.55587   112.65406   -92.81410
   50    47 S   C    _C16    77     1.38725   128.57683  -178.59291
   51    50 S   O    _O33    78     1.22761   126.56032     1.69258
   52    49 S   CM   _C23    46     1.52219   113.54348   -48.93265
   53    52 S   HC   _H29    47     1.08983   115.64919   -63.96723
   54    49 S   OH   _O39    73     1.43422   107.83754    72.86080
   55    54 S   HO   _H40    74     0.97268   108.36321    63.97353
   56    50 S   CM   _C14    79     1.50545   112.95798  -178.28320
   57    52 S   CM   _C24    48     1.34336   126.12606   114.87677
   58    57 S   HC   _H30    49     1.08679   120.10635     0.37639
   59    56 S   CM   _C13    80     1.34753   115.63033  -147.72547
   60    59 S   HC   _H22    81     1.08970   119.93298     0.04423
   61    56 S   CT   _C15   108     1.50150   118.75729    35.86311
   62    61 S   HC   _H23   109     1.09454   110.63295   -84.58683
   63    61 S   HC   _H24   110     1.09550   110.69008    35.84983
   64    61 S   HC   _H25   111     1.09441   112.32950   154.45020
   65    57 S   CM   _C25    50     1.44611   122.91510  -178.17715
   66    65 S   HC   _H31    51     1.08768   117.19493    -2.23948
   67    59 S   CM   _C11    82     1.45911   126.65061  -179.30988
   68    65 S   CM   _C26    52     1.34120   122.84496   176.64871
   69    68 S   HC   _H32    53     1.08839   119.97296     0.40542
   70    67 S   CM   _C10    83     1.34796   120.70904   -59.43642
   71    70 S   HC   _H18    84     1.09106   117.96783    -0.00000
   72    67 S   CT   _C12   104     1.50324   113.45252   123.14479
   73    72 S   HC   _H19   105     1.09608   110.56914    53.98414
   74    72 S   HC   _H20   106     1.09170   113.58166   173.80429
   75    72 S   HC   _H21   107     1.09567   110.20366   -65.62649
   76    68 S   CM   _C27    54     1.44668   123.04834  -178.32731
   77    76 S   HC   _H33    55     1.08715   117.31106    -1.50090
   78    70 S   CT   _C8_    85     1.51191   128.05158   179.95577
   79    78 S   HC   _H3_    86     1.09398   111.25945    -5.01657
   80    76 S   CM   _C28    56     1.33977   122.26389   176.94155
   81    80 S   HC   _H34    57     1.08454   121.31602     1.11259
   82    78 S   CT   _C9_    87     1.53238   108.98743  -122.46642
   83    82 S   HC   _H15    88     1.09602   111.62100   -62.18769
   84    82 S   HC   _H16    89     1.09590   110.97302    58.26517
   85    82 S   HC   _H17    90     1.09544   110.68277   177.71244
   86    78 S   CT   _C7_    91     1.54121   111.58304   115.83281
   87    86 S   HC   _H13    92     1.09780   108.86631   173.77395
   88    86 S   HC   _H14    93     1.09801   110.08966    57.31345
   89    80 S   C    _C29    58     1.49156   120.59250  -178.14818
   90    89 S   O    _O36    59     1.22431   120.87203   -19.64278
   91    86 S   CT   _C6_    94     1.53329   113.02126   -65.34490
   92    91 S   HC   _H11    95     1.09607   110.15707    62.37906
   93    91 S   HC   _H12    96     1.09680   109.52503   -55.32539
   94    89 S   N    _N5_    60     1.38621   110.71364   159.75407
   95    94 S   H    _H35    61     1.01980   117.18182    -4.04849
   96    91 S   CT   _C5_    97     1.52915   111.22004  -176.51833
   97    96 S   HC   _H9_    98     1.09620   109.88988    58.95266
   98    96 S   HC   _H10    99     1.09622   109.84879   -58.80157
   99    94 S   CM   _C30    62     1.37084   129.00861   177.92916
  100    96 S   CT   _C4_   100     1.52041   111.47621  -179.93744
  101   100 S   HC   _H6_   101     1.09469   111.00258    60.29016
  102   100 S   HC   _H7_   102     1.09449   110.26172  -179.96574
  103   100 S   HC   _H8_   103     1.09469   110.99736   -60.22481
  104    99 S   CMA  _C31    63     1.34446   133.99576    -2.31427
  105   104 S   OM   _O38    64     1.25848   135.91611    -0.12195
  106   104 S   CT   _C32    65     1.52043   111.90039  -179.84423
  107   106 S   HC   _H36    66     1.09833   111.68950   119.79677
  108   106 S   HC   _H37    67     1.09830   111.67614  -119.60734
  109   106 S   CT   _C33    68     1.52176   106.47741     0.10087
  110   109 S   HC   _H38    69     1.09350   111.63734  -117.77460
  111   109 S   HC   _H39    70     1.09349   111.62035   118.05752
  112    99 S   CO4  _C34    71     1.48100   118.72728   178.18447
  113   112 S   O    _O37    72     1.22343   123.88477     0.07402
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  11   6  10   4   3   1  10  10   4   7   3
   7   9   3   8   4   2   1   9   6   3  13   4   4   2   1   1
   6   3  10   6   3  15   5   4   2   1   1   6   3  12   8   6
   3   7   3   2   1   9   5   4   6   3   9   5   4   8   3   6
   5   4  10   3   2   1   1   9   5   7   5   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    49    52    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    46    49    52    53    57    54    55    42    43  
   38    39    40    45    49    52    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    52    54    47    42    43  
   40    41    44    49    42    43  
   41    44    45    46    49    47    48    50    42    43  
   44    45    47    42  
   43    44    49  
    0  
   45    46    49    52    54    47    48    50    51    56  
   46    49    52    53    57    54    55    47    48    50  
   49    52    54    47  
   48    50    51    56    59    61    49  
   50    51    56  
   52    53    57    58    65    54    55  
   51    56    59    60    67    61    62    63    64  
   56    59    61  
   53    57    58    65    66    68    54    55  
   57    58    65    54  
   55    57  
    0  
   59    60    67    70    72    61    62    63    64  
   58    65    66    68    69    76  
   65    66    68  
   60    67    70    71    78    72    73    74    75    61    62    63    64  
   67    70    72    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    68    69    76    77    80  
   68    69    76  
   70    71    78    79    82    86    72    73    74    75  
   69    76    77    80    81    89  
   76    77    80  
   71    78    79    82    83    84    85    86    87    88    91    72    73    74    75  
   78    79    82    86    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    89    90    94  
   80    81    89  
   79    82    83    84    85    86    87    88    91    92    93    96  
   82    83    84    85    86    87    88    91  
   81    89    90    94    95    99  
   89    90    94  
   83    84    85    86    87    88    91  
   84    85    86  
   85    86  
   86  
   87    88    91    92    93    96    97    98   100  
   88    91    92    93    96  
   91    92    93    96  
   90    94    95    99   104   112  
   94    95    99  
   92    93    96    97    98   100   101   102   103  
   93    96    97    98   100  
   96    97    98   100  
   95    99   104   105   106   109   112   113  
   99   104   112  
   97    98   100   101   102   103  
   98   100   101   102   103  
  100   101   102   103  
  104   105   106   107   108   109   110   111   112   113  
  101   102   103  
  102   103  
  103  
    0  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   112  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   95   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
  105   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.470000   1.6780   1.4800   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   549.000  1.340
   44    47   400.000  1.384
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    52   317.000  1.510
   49    54   320.000  1.410
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    65   380.000  1.444
   65    66   340.000  1.080
   65    68   549.000  1.340
   68    69   340.000  1.080
   68    76   380.000  1.444
   76    77   340.000  1.080
   76    80   549.000  1.340
   80    81   340.000  1.080
   80    89   410.000  1.444
   89    90   570.000  1.229
   89    94   490.000  1.335
   94    95   434.000  1.010
   94    99   400.000  1.384
   99   104   465.000  1.376
   99   112   320.000  1.462
  104   105   745.000  1.250
  104   106   270.000  1.512
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   570.000  1.229
   54    55   553.000  0.945
   47    48   434.000  1.010
   47    50   490.000  1.335
   50    51   570.000  1.229
   50    56   410.000  1.444
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    67   380.000  1.444
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    49    45    70.00000  112.02700
   33    49    52    70.00000  112.02700
   33    49    54    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    65.00000  118.62400
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    65.00000  118.96000
   40    44    47    70.00000  117.92000
   44    40    41    80.00000  123.72100
   44    45    46    35.00000  120.00000
   44    45    49    70.00000  124.00000
   44    47    48    45.00000  117.55000
   44    47    50    70.00000  120.89900
   45    49    52    70.00000  110.12100
   45    49    54    90.00000  110.39200
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    45    46    35.00000  117.00000
   49    52    53    35.00000  117.00000
   49    52    57    70.00000  124.00000
   49    54    55    55.00000  108.50000
   52    57    58    35.00000  120.00000
   52    57    65    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    68    70.00000  123.01800
   65    57    58    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    76    70.00000  123.01800
   68    65    66    35.00000  120.00000
   68    76    77    35.00000  120.00000
   68    76    80    70.00000  123.01800
   76    68    69    35.00000  120.00000
   76    80    81    35.00000  120.00000
   76    80    89    70.00000  118.70000
   80    76    77    35.00000  120.00000
   80    89    90    80.00000  125.30000
   80    89    94    80.00000  111.56200
   89    80    81    35.00000  119.70000
   89    94    95    35.00000  119.80000
   89    94    99    70.00000  120.89900
   94    89    90    80.00000  122.90000
   94    99   104    75.00000  120.83300
   94    99   112    70.00000  117.92000
   99    94    95    45.00000  117.55000
   99   104   105    65.00000  137.10300
   99   104   106    65.00000  122.18000
   99   112   109    65.00000  118.62400
   99   112   113    80.00000  123.72100
  104   106   107    45.00000  110.52000
  104   106   108    45.00000  110.52000
  104   106   109    70.00000  112.02700
  106   104   105    85.00000  112.85300
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112    99   104    60.00000  125.92000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   54    49    52    90.00000  110.39200
   47    44    45    75.00000  120.83300
   47    50    51    80.00000  122.90000
   47    50    56    80.00000  111.56200
   50    47    48    35.00000  119.80000
   50    56    59    70.00000  118.70000
   50    56    61    70.00000  119.70000
   56    50    51    80.00000  125.30000
   56    59    60    35.00000  120.00000
   56    59    67    70.00000  123.01800
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   59    67    70    70.00000  123.01800
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    82    70.00000  112.02700
   70    78    86    70.00000  112.02700
   78    70    71    35.00000  117.00000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    85    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    91    58.35000  112.70000
   82    78    79    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    82    58.35000  112.70000
   86    91    92    37.50000  110.70000
   86    91    93    37.50000  110.70000
   86    91    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96   100    58.35000  112.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96   100   101    37.50000  110.70000
   96   100   102    37.50000  110.70000
   96   100   103    37.50000  110.70000
   98    96    97    33.00000  107.80000
  100    96    97    37.50000  110.70000
  100    96    98    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   61    56    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
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   0.65300  1.0 1.0
   33    38    40    44  -0.03850 -1.0 2.0
   33    38    40    44   0.33900  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    49    52    53   0.00000  1.0 1.0
   33    49    52    57   0.09850  1.0 1.0
   33    49    52    57   0.15250 -1.0 2.0
   33    49    52    57  -0.50650  1.0 3.0
   33    49    54    55  -0.11600  1.0 1.0
   33    49    54    55  -0.09450 -1.0 2.0
   33    49    54    55   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    52   0.15000  1.0 3.0
   34    33    49    54   0.23400  1.0 3.0
   38    33    49    45   0.34400  1.0 1.0
   38    33    49    45   0.09450 -1.0 2.0
   38    33    49    45   0.11100  1.0 3.0
   38    33    49    52   0.34400  1.0 1.0
   38    33    49    52   0.09450 -1.0 2.0
   38    33    49    52   0.11100  1.0 3.0
   38    33    49    54   0.86500  1.0 1.0
   38    33    49    54  -0.17500 -1.0 2.0
   38    33    49    54   0.20800  1.0 3.0
   38    40   -44    45  -0.33500  1.0 1.0
   38    40   -44    45   1.06600 -1.0 2.0
   38    40   -44    45  -0.14000  1.0 3.0
   38    40    44    47   1.50000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43   0.91850  1.0 1.0
   40    38    42    43   0.57950  1.0 3.0
   40    44    45    46   7.00000 -1.0 2.0
   40    44    45    49   7.00000 -1.0 2.0
   40    44    47    48   1.00000 -1.0 2.0
   40    44    47    50  -0.56400  1.0 1.0
   40    44    47    50   0.77500 -1.0 2.0
   40    44    47    50   0.18700  1.0 3.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    47  -0.52200  1.0 1.0
   41    40    44    47   0.82950 -1.0 2.0
   44    45   -49    33   0.09850  1.0 1.0
   44    45   -49    33   0.15250 -1.0 2.0
   44    45   -49    33  -0.50650  1.0 3.0
   44    45    49    52  -0.28300  1.0 1.0
   44    45    49    52   0.26700 -1.0 2.0
   44    45    49    52  -0.63300  1.0 3.0
   44    45    49    54   0.67800  1.0 1.0
   44    45    49    54   0.47050 -1.0 2.0
   44    45    49    54  -0.62500  1.0 3.0
   44    47    50    51   2.67200 -1.0 2.0
   44    47    50    56   2.45000 -1.0 2.0
   45    44    47    48   0.78350 -1.0 2.0
   45    44    47    50  -0.18900  1.0 1.0
   45    44    47    50   1.70900 -1.0 2.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    57  -0.28300  1.0 1.0
   45    49    52    57   0.26700 -1.0 2.0
   45    49    52    57  -0.63300  1.0 3.0
   45    49    54    55  -0.07800  1.0 1.0
   45    49    54    55  -0.21500 -1.0 2.0
   45    49    54    55  -0.03150  1.0 3.0
   46    45    49    33   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    54   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40  -0.95700  1.0 1.0
   49    33   -38    40  -0.18200 -1.0 2.0
   49    33   -38    40   0.29450  1.0 3.0
   49    33    38    42   0.86500  1.0 1.0
   49    33    38    42  -0.17500 -1.0 2.0
   49    33    38    42   0.20800  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    65   7.00000 -1.0 2.0
   52    49    54    55  -0.07800  1.0 1.0
   52    49    54    55  -0.21500 -1.0 2.0
   52    49    54    55  -0.03150  1.0 3.0
   52    57    65    66  -0.18600  1.0 3.0
   52    57    65    68   0.28850  1.0 1.0
   52    57    65    68   2.61350 -1.0 2.0
   52    57    65    68   0.78400  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    65   7.00000 -1.0 2.0
   57    65    68    69   7.00000 -1.0 2.0
   57    65    68    76   7.00000 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    68  -0.18600  1.0 3.0
   65    68    76    77  -0.18600  1.0 3.0
   65    68    76    80   0.28850  1.0 1.0
   65    68    76    80   2.61350 -1.0 2.0
   65    68    76    80   0.78400  1.0 3.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    76   7.00000 -1.0 2.0
   68    76    80    81   7.00000 -1.0 2.0
   68    76    80    89   7.00000 -1.0 2.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    76    80  -0.18600  1.0 3.0
   76    80    89    90   1.00000 -1.0 2.0
   76    80    89    94   0.49500  1.0 1.0
   76    80    89    94   1.31600 -1.0 2.0
   76    80    89    94  -0.02300  1.0 3.0
   77    76    80    81   7.00000 -1.0 2.0
   77    76    80    89   7.00000 -1.0 2.0
   80    89    94    95   2.56700 -1.0 2.0
   80    89    94    99   2.45000 -1.0 2.0
   81    80    89    90   0.00000  1.0 1.0
   81    80    89    94   0.65100 -1.0 2.0
   89    94    99   104  -0.18900  1.0 1.0
   89    94    99   104   1.70900 -1.0 2.0
   89    94    99   112  -0.56400  1.0 1.0
   89    94    99   112   0.77500 -1.0 2.0
   89    94    99   112   0.18700  1.0 3.0
   90    89    94    95   2.45000 -1.0 2.0
   90    89    94    99   2.67200 -1.0 2.0
   94    99   104   105   7.00000 -1.0 2.0
   94    99   104   106   7.00000 -1.0 2.0
   94    99   112   109   1.50000 -1.0 2.0
   94    99   112   113  -0.52200  1.0 1.0
   94    99   112   113   0.82950 -1.0 2.0
   95    94    99   104   0.78350 -1.0 2.0
   95    94    99   112   1.00000 -1.0 2.0
   99   104   106   107   0.00000  1.0 1.0
   99   104   106   108   0.00000  1.0 1.0
   99   104  -106   109   0.09850  1.0 1.0
   99   104  -106   109   0.15250 -1.0 2.0
   99   104  -106   109  -0.50650  1.0 3.0
  104    99  -112   109  -0.33500  1.0 1.0
  104    99  -112   109   1.06600 -1.0 2.0
  104    99  -112   109  -0.14000  1.0 3.0
  104    99   112   113   1.00000 -1.0 2.0
  104   106   109   110   0.15000  1.0 3.0
  104   106   109   111   0.15000  1.0 3.0
  104   106  -109   112  -0.98800  1.0 1.0
  104   106  -109   112   0.48800 -1.0 2.0
  104   106  -109   112   0.76800  1.0 3.0
  105   104   106   107   0.00000  1.0 1.0
  105   104   106   108   0.00000  1.0 1.0
  105   104   106   109   0.09700  1.0 1.0
  105   104   106   109   0.15600 -1.0 2.0
  105   104   106   109  -0.50800  1.0 3.0
  106   109  -112    99   0.65300  1.0 1.0
  106   109  -112    99  -0.03850 -1.0 2.0
  106   109  -112    99   0.33900  1.0 3.0
  106   109   112   113   0.30150 -1.0 2.0
  107   106   109   110   0.15000  1.0 3.0
  107   106   109   111   0.15000  1.0 3.0
  107   106   109   112  -0.11250  1.0 3.0
  108   106   109   110   0.15000  1.0 3.0
  108   106   109   111   0.15000  1.0 3.0
  108   106   109   112  -0.11250  1.0 3.0
  110   109   112    99   0.00000  1.0 1.0
  110   109   112   113   0.00000  1.0 1.0
  111   109   112    99   0.00000  1.0 1.0
  111   109   112   113   0.00000  1.0 1.0
  112    99   104   105   7.00000 -1.0 2.0
  112    99  -104   106   7.00000 -1.0 2.0
   54    49    52    53   0.00000  1.0 1.0
   54    49    52    57   0.67800  1.0 1.0
   54    49    52    57   0.47050 -1.0 2.0
   54    49    52    57  -0.62500  1.0 3.0
   47    44    45    46   7.00000 -1.0 2.0
   47    44    45    49   7.00000 -1.0 2.0
   47    50    56    59   0.49500  1.0 1.0
   47    50    56    59   1.31600 -1.0 2.0
   47    50    56    59  -0.02300  1.0 3.0
   47    50    56    61   1.59650  1.0 1.0
   47    50    56    61   0.42750 -1.0 2.0
   47    50    56    61  -0.48350  1.0 3.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    56   2.56700 -1.0 2.0
   50    56    59    60   7.00000 -1.0 2.0
   50    56    59    67   7.00000 -1.0 2.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    63   0.15000  1.0 3.0
   50    56    61    64   0.15000  1.0 3.0
   51    50    56    59   1.00000 -1.0 2.0
   51    50    56    61  -0.64400  1.0 1.0
   51    50    56    61   0.26850 -1.0 2.0
   56    59    67    70   0.28850  1.0 1.0
   56    59    67    70   2.61350 -1.0 2.0
   56    59    67    70   0.78400  1.0 3.0
   56    59    67    72  -0.18600  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    64   0.00000  1.0 1.0
   59    67    70    71   7.00000 -1.0 2.0
   59    67    70    78   7.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    75   0.00000  1.0 1.0
   60    59    67    70  -0.18600  1.0 3.0
   60    59    67    72   0.00000  1.0 1.0
   67    70    78    79   0.00000  1.0 1.0
   67    70    78    82   0.09850  1.0 1.0
   67    70    78    82   0.15250 -1.0 2.0
   67    70    78    82  -0.50650  1.0 3.0
   67    70    78    86   0.09850  1.0 1.0
   67    70    78    86   0.15250 -1.0 2.0
   67    70    78    86  -0.50650  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    75   0.00000  1.0 1.0
   70    78    82    83   0.15000  1.0 3.0
   70    78    82    84   0.15000  1.0 3.0
   70    78    82    85   0.15000  1.0 3.0
   70    78    86    87   0.15000  1.0 3.0
   70    78    86    88   0.15000  1.0 3.0
   70    78    86    91   0.34400  1.0 1.0
   70    78    86    91   0.09450 -1.0 2.0
   70    78    86    91   0.11100  1.0 3.0
   71    70    78    79   0.33100  1.0 3.0
   71    70    78    82   0.00000  1.0 1.0
   71    70    78    86   0.00000  1.0 1.0
   78    86    91    92   0.15000  1.0 3.0
   78    86    91    93   0.15000  1.0 3.0
   78    86    91    96   0.56750  1.0 1.0
   78    86    91    96  -0.07550 -1.0 2.0
   78    86    91    96   0.20000  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    85   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    91   0.15000  1.0 3.0
   82    78    86    87   0.15000  1.0 3.0
   82    78    86    88   0.15000  1.0 3.0
   82    78    86    91   0.56750  1.0 1.0
   82    78    86    91  -0.07550 -1.0 2.0
   82    78    86    91   0.20000  1.0 3.0
   86    78    82    83   0.15000  1.0 3.0
   86    78    82    84   0.15000  1.0 3.0
   86    78    82    85   0.15000  1.0 3.0
   86    91    96    97   0.15000  1.0 3.0
   86    91    96    98   0.15000  1.0 3.0
   86    91    96   100   0.56750  1.0 1.0
   86    91    96   100  -0.07550 -1.0 2.0
   86    91    96   100   0.20000  1.0 3.0
   87    86    91    92   0.15000  1.0 3.0
   87    86    91    93   0.15000  1.0 3.0
   87    86    91    96   0.15000  1.0 3.0
   88    86    91    92   0.15000  1.0 3.0
   88    86    91    93   0.15000  1.0 3.0
   88    86    91    96   0.15000  1.0 3.0
   91    96   100   101   0.15000  1.0 3.0
   91    96   100   102   0.15000  1.0 3.0
   91    96   100   103   0.15000  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96   100   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96    98   0.15000  1.0 3.0
   93    91    96   100   0.15000  1.0 3.0
   97    96   100   101   0.15000  1.0 3.0
   97    96   100   102   0.15000  1.0 3.0
   97    96   100   103   0.15000  1.0 3.0
   98    96   100   101   0.15000  1.0 3.0
   98    96   100   102   0.15000  1.0 3.0
   98    96   100   103   0.15000  1.0 3.0
   72    67    70    71   7.00000 -1.0 2.0
   72    67    70    78   7.00000 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    67   7.00000 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  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
   38    44    40    41  10.50000 -1.0 2.0
   40    47    44    45   1.10000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   49    53    52    57  15.00000 -1.0 2.0
   65    58    57    52  15.00000 -1.0 2.0
   57    66    65    68  15.00000 -1.0 2.0
   76    69    68    65  15.00000 -1.0 2.0
   68    77    76    80  15.00000 -1.0 2.0
   89    81    80    76  15.00000 -1.0 2.0
   80    94    89    90  10.50000 -1.0 2.0
   95    89    94    99   1.00000 -1.0 2.0
   94   112    99   104   1.10000 -1.0 2.0
  106   105   104    99   1.10000 -1.0 2.0
   99   109   112   113  10.50000 -1.0 2.0
   48    50    47    44   1.00000 -1.0 2.0
   47    56    50    51  10.50000 -1.0 2.0
   50    61    56    59  15.00000 -1.0 2.0
   67    60    59    56  15.00000 -1.0 2.0
   59    72    67    70  15.00000 -1.0 2.0
   78    71    70    67  15.00000 -1.0 2.0
END
