* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    207    300     599
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111   104.51283   -34.22262
    3     1 S   H    _H1_     3     1.02057    68.33782    70.43202
    4     1 S   H    _H2_     4     1.02165    44.64357  -136.30190
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.83122    97.60200  -178.15241
   34    33 S   HC   _H3_    37     1.07961   106.45251    44.72679
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C5_    38     1.50887   109.29533   159.97072
   39    38 S   HC   _H43    39     1.08174   116.78361    53.72008
   40    33 S   CM   _C12    76     1.53466   110.04200   -74.63982
   41    38 S   CM   _C6_    40     1.34491   128.40515  -124.11419
   42    41 S   HC   _H44    41     1.07740   115.62709  -179.34748
   43    40 S   CT   _C27    77     1.51840   116.28824   -71.56157
   44    43 S   HC   _H60    78     1.07879   108.23020   -88.06179
   45    43 S   HC   _H61    79     1.07952   108.22872   151.72708
   46    43 S   HC   _H62    80     1.07986   108.23855    32.13999
   47    41 S   CT   _C21    42     1.50892   129.93650     1.06716
   48    47 S   HC   _H52    43     1.10283   107.97750   153.50442
   49    47 S   CT   _C22    44     1.54275   112.57097   -84.35687
   50    49 S   HC   _H53    45     1.11225   108.42003    61.12201
   51    47 S   OS   _O40   111     1.42693   111.36266    38.15003
   52    49 S   CM   _C11    46     1.52663   114.37122   -62.09119
   53    49 S   OS   _O39   105     1.43357   109.55679   175.48642
   54    51 S   CT   _C31   112     1.42071   111.54546    79.98007
   55    54 S   HC   _H72   113     1.09327   109.56260   179.94065
   56    54 S   HC   _H73   114     1.09312   109.48159    59.20328
   57    54 S   HC   _H74   115     1.09185   109.02365   -60.35336
   58    52 S   CM   _C7_    47     1.35010   119.40166   107.23994
   59    58 S   HC   _H45    48     1.11438   115.69373    -1.63470
   60    52 S   CT   _C26   101     1.50522   115.70033   -73.13865
   61    60 S   HC   _H57   102     1.08452   109.12230   -89.62938
   62    60 S   HC   _H58   103     1.08510   109.10656   150.15640
   63    60 S   HC   _H59   104     1.08535   109.05172    30.53940
   64    53 S   CO4  _C16   106     1.36401   115.67401  -146.41116
   65    64 S   O    _O36   107     1.22652   125.30706     0.02798
   66    58 S   CT   _C20    49     1.51370   130.63820   178.22117
   67    66 S   HC   _H51    50     1.11161   108.45568  -175.85244
   68    64 S   N    _N31   108     1.37240   110.39092  -180.00000
   69    68 S   H    _H79   109     1.01441   119.36439  -179.97202
   70    68 S   H    _H80   110     1.01508   121.40724    -0.03956
   71    66 S   CT   _C25    51     1.54817   114.48567   -60.57238
   72    71 S   HC   _H56    52     1.10140   106.42391    61.92647
   73    66 S   CT   _C28    97     1.53651   111.22434    68.99986
   74    73 S   HC   _H63    98     1.08792   109.61756   -62.83796
   75    73 S   HC   _H64    99     1.08743   109.67877   177.18103
   76    73 S   HC   _H65   100     1.08758   109.63097    57.13423
   77    71 S   CT   _C24    53     1.55104   116.09025   -57.54108
   78    77 S   HC   _H55    54     1.09433   109.69927    49.56947
   79    71 S   OH   _O37    95     1.43269   109.76306   177.53947
   80    79 S   HO   _H81    96     0.96823   106.18256    60.04207
   81    77 S   CT   _C18    55     1.54222   116.64719   -77.58398
   82    81 S   HC   _H48    56     1.10174   108.16767   -32.73070
   83    81 S   HC   _H49    57     1.10043   109.85231  -145.57169
   84    77 S   OS   _O41    90     1.43895   105.40380   164.20605
   85    81 S   CT   _C23    58     1.54464   115.36127    90.81149
   86    85 S   HC   _H54    59     1.09799   109.12670   -41.21967
   87    84 S   CT   _C32    91     1.41955   111.43273  -155.33015
   88    87 S   HC   _H75    92     1.09334   109.53698  -179.96574
   89    87 S   HC   _H76    93     1.09275   109.51726    59.22248
   90    87 S   HC   _H77    94     1.09198   108.98463   -60.39170
   91    85 S   CT   _C17    60     1.55045   110.69282    78.90284
   92    91 S   HC   _H46    61     1.09433   109.66494    62.51737
   93    91 S   HC   _H47    62     1.09329   109.32098   -52.26935
   94    85 S   CT   _C29    86     1.53546   108.94401  -158.40958
   95    94 S   HC   _H66    87     1.08631   109.47899   -61.81839
   96    94 S   HC   _H67    88     1.08648   109.41561   178.15814
   97    94 S   HC   _H68    89     1.08694   109.41120    58.23806
   98    91 S   CM   _C8_    63     1.51986   113.62697  -176.04408
   99    98 S   CM   _C10    64     1.34526   124.86188  -101.62461
  100    99 S   CO4  _C14    65     1.47933   120.84555   178.69075
  101   100 S   O    _O34    66     1.22768   121.60748   177.42648
  102    99 S   OS   _O38    81     1.37887   124.50402     0.53008
  103   100 S   CM   _C4_    67     1.47089   117.95336    -3.87110
  104   103 S   HC   _H42    68     1.08155   114.21105  -173.35955
  105   102 S   CT   _C30    82     1.40736   112.61286   -90.00671
  106   105 S   HC   _H69    83     1.09292   109.50220   180.00000
  107   105 S   HC   _H70    84     1.09372   109.48376    59.21562
  108   105 S   HC   _H71    85     1.09183   108.99656   -60.42517
  109   103 S   CM   _C9_    69     1.33953   123.29908     6.46642
  110    98 S   CO4  _C15    70     1.49918   115.00700    79.36772
  111   110 S   O    _O35    71     1.22820   119.46755     3.74193
  112   109 S   NE   _N30    72     1.39112   121.93733  -178.78711
  113   112 S   H    _H78    73     0.98906   112.85588    18.93199
  114   112 S   CMA  _C13    74     1.39583   132.72662  -161.43374
  115   114 S   OM   _O33    75     1.26511   110.21420    58.40564
  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   8   5   4   3
  14   6   2   1   1  10   4  10   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   7   3   3   2   1   1   6   4   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41   114    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47   112   114   115    40    43    44    45    46  
   38    39    41   114    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49   114    40    43    51  
   41    42    47    40  
   43    44    45    46    41   109   112   113   114   115  
   42    47    48    49    50    52    53    51    54  
   47    48    49    51  
   44    45    46   112   114   115  
   45    46   114  
   46   114  
  114  
   48    49    50    52    58    60    53    64    51    54    55    56    57  
   49    50    52    53    51    54  
   50    52    58    59    66    60    61    62    63    53    64    65    68    51    54  
   52    58    60    53    64    51  
   54    55    56    57    52    53  
   58    59    66    67    71    73    60    61    62    63    53    64  
   64    65    68    69    70    58    60  
   55    56    57  
   56    57  
   57  
    0  
   59    66    67    71    72    77    79    73    74    75    76    60    61    62    63  
   66    67    71    73    60  
   61    62    63    66  
   62    63  
   63  
    0  
   65    68    69    70  
   68    69    70  
   67    71    72    77    78    81    84    79    80    73    74    75    76  
   71    72    77    79    73    74    75    76  
   69    70  
   70  
    0  
   72    77    78    81    82    83    85    84    87    79    80    73    74    75    76  
   77    78    81    84    79    80    73  
   74    75    76    77    79  
   75    76  
   76  
    0  
   78    81    82    83    85    86    91    94    84    87    88    89    90    79    80  
   81    82    83    85    84    87    79  
   80    81    84  
    0  
   82    83    85    86    91    92    93    98    94    95    96    97    84    87  
   83    85    86    91    94    84  
   85    86    91    94    84  
   87    88    89    90    85  
   86    91    92    93    98    99   110    94    95    96    97  
   91    92    93    98    94    95    96    97  
   88    89    90  
   89    90  
   90  
    0  
   92    93    98    99   100   109   110   111   102    94    95    96    97  
   93    98    99   110    94  
   98    99   110    94  
   95    96    97    98  
   96    97  
   97  
    0  
   99   100   101   103   109   110   111   112   102   105  
  100   101   103   104   109   110   111   102   105   106   107   108  
  101   103   104   109   110   112   102   105  
  103   104   109   102  
  105   106   107   108   103   110  
  104   109   110   111   112   113   114  
  109   110   112  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114   115  
  111   112   113   114  
  112  
  113   114   115  
  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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  102   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
  110   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  112   3.2500   0.1700  -0.894200   1.8650   1.6500   0.051222218  -2.220205820
  113   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
  114   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
  115   3.1500   0.2500  -0.373900   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   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    53   320.000  1.410
   52    58   549.000  1.340
   52    60   317.000  1.510
   58    59   340.000  1.080
   58    66   317.000  1.510
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    73   268.000  1.529
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   320.000  1.410
   77    78   340.000  1.090
   77    81   268.000  1.529
   77    84   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    91   268.000  1.529
   85    94   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    98   317.000  1.510
   98    99   549.000  1.340
   98   110   320.000  1.462
   99   100   320.000  1.462
   99   102   440.000  1.360
  100   101   570.000  1.229
  100   103   320.000  1.462
  103   104   340.000  1.080
  103   109   549.000  1.340
  109   110   320.000  1.462
  109   112   425.000  1.378
  110   111   570.000  1.229
  112   113   434.000  1.010
  112   114   415.000  1.382
  114   115   745.000  1.250
  114    40   465.000  1.376
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
  102   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   84    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   53    64   214.000  1.327
   64    65   570.000  1.229
   64    68   435.000  1.380
   68    69   434.000  1.010
   68    70   434.000  1.010
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40   114    70.00000  124.00000
   33    40    43    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    47    48    35.00000  109.50000
   41    47    49    70.00000  112.02700
   41    47    51    85.00000  110.90400
   47    41    42    35.00000  117.00000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    53    50.00000  109.50000
   47    51    54    60.00000  109.50000
   49    47    48    37.50000  110.70000
   49    52    58    70.00000  124.00000
   49    52    60    65.00000  117.92700
   49    53    64    83.00000  116.90000
   52    49    50    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    66    70.00000  124.00000
   52    60    61    35.00000  109.50000
   52    60    62    35.00000  109.50000
   52    60    63    35.00000  109.50000
   58    66    67    35.00000  109.50000
   58    66    71    70.00000  112.02700
   58    66    73    70.00000  112.02700
   66    58    59    35.00000  117.00000
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    71    79    50.00000  109.50000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   71    66    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    81    58.35000  112.70000
   71    77    84    50.00000  109.50000
   71    79    80    55.00000  108.50000
   77    71    72    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    85    58.35000  112.70000
   77    84    87    60.00000  109.50000
   81    77    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    91    58.35000  112.70000
   81    85    94    58.35000  112.70000
   83    81    82    33.00000  107.80000
   85    81    82    37.50000  110.70000
   85    81    83    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    98    70.00000  112.02700
   85    94    95    37.50000  110.70000
   85    94    96    37.50000  110.70000
   85    94    97    37.50000  110.70000
   91    85    86    37.50000  110.70000
   91    98    99    70.00000  124.00000
   91    98   110    65.00000  116.34900
   93    91    92    33.00000  107.80000
   98    91    92    35.00000  109.50000
   98    91    93    35.00000  109.50000
   98    99   100    65.00000  118.96000
   98    99   102    80.00000  120.01400
   98   110   109    65.00000  118.65900
   98   110   111    80.00000  123.72100
   99   100   101    80.00000  123.72100
   99   100   103    65.00000  118.65900
   99   102   105    90.00000  111.18400
  100   103   104    40.00000  117.72500
  100   103   109    65.00000  118.96000
  103   100   101    80.00000  123.72100
  103   109   110    65.00000  118.96000
  103   109   112    70.00000  124.03900
  109   103   104    35.00000  120.00000
  109   110   111    80.00000  123.72100
  109   112   113    35.00000  114.50000
  109   112   114    75.00000  118.45600
  110    98    99    65.00000  118.96000
  112   109   110    70.00000  117.92000
  112   114   115   105.00000  113.92000
  112   114    40    75.00000  114.40000
  114   112   113    50.00000  121.48000
  114    40    43    70.00000  124.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40   114   115    65.00000  137.10300
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
  102    99   100    85.00000  116.28000
  102   105   106    35.00000  109.50000
  102   105   107    35.00000  109.50000
  102   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   94    85    86    37.50000  110.70000
   94    85    91    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   84    77    78    35.00000  109.50000
   84    77    81    50.00000  109.50000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    71    72    35.00000  109.50000
   79    71    77    50.00000  109.50000
   73    66    67    37.50000  110.70000
   73    66    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    52    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   53    49    50    35.00000  109.50000
   53    49    52    85.00000  110.90400
   53    64    65    83.00000  123.40000
   53    64    68   110.00000  108.75700
   64    68    69    50.00000  116.34900
   64    68    70    50.00000  116.34900
   68    64    65    85.00000  125.96000
   70    68    69    35.00000  120.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40   114   0.42700  1.0 1.0
   29    33    40   114  -0.70350 -1.0 2.0
   29    33    40   114  -0.43150  1.0 3.0
   29    33    40    43   0.30250  1.0 1.0
   29    33    40    43  -0.14950 -1.0 2.0
   29    33    40    43   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    40    43    44   0.34800  1.0 3.0
   33    40    43    45   0.34800  1.0 3.0
   33    40    43    46   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40   114   0.00000  1.0 1.0
   34    33    40    43   0.34800  1.0 3.0
   38    33    40   114  -0.28300  1.0 1.0
   38    33    40   114   0.26700 -1.0 2.0
   38    33    40   114  -0.63300  1.0 3.0
   38    33    40    43   0.09700  1.0 1.0
   38    33    40    43   0.15600 -1.0 2.0
   38    33    40    43  -0.50800  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.09850  1.0 1.0
   38    41    47    49   0.15250 -1.0 2.0
   38    41    47    49  -0.50650  1.0 3.0
   38    41    47    51   0.39000  1.0 1.0
   38    41    47    51  -0.05800 -1.0 2.0
   38    41    47    51  -0.55150  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    52   0.31000  1.0 1.0
   41    47    49    52   0.14700 -1.0 2.0
   41    47    49    52   0.07550  1.0 3.0
   41    47    49    53   0.61850  1.0 1.0
   41    47    49    53  -0.22750 -1.0 2.0
   41    47    49    53   0.15300  1.0 3.0
   41    47    51    54  -0.77900  1.0 1.0
   41    47    51    54  -0.36900 -1.0 2.0
   41    47    51    54   0.40400  1.0 3.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    49    52    58   0.09850  1.0 1.0
   47    49    52    58   0.15250 -1.0 2.0
   47    49    52    58  -0.50650  1.0 3.0
   47    49    52    60   0.46850  1.0 1.0
   47    49    52    60   0.08550 -1.0 2.0
   47    49    52    60   0.09800  1.0 3.0
   47    49    53    64  -0.25900  1.0 1.0
   47    49    53    64  -0.47000 -1.0 2.0
   47    49    53    64   0.11750  1.0 3.0
   47    51    54    55   0.37050  1.0 3.0
   47    51    54    56   0.37050  1.0 3.0
   47    51    54    57   0.37050  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    51    54   0.37050  1.0 3.0
   49    47    51    54   0.06250  1.0 1.0
   49    47    51    54  -0.01100 -1.0 2.0
   49    47    51    54   0.28050  1.0 3.0
   49    52    58    59   7.00000 -1.0 2.0
   49    52    58    66   7.00000 -1.0 2.0
   49    52    60    61   0.34800  1.0 3.0
   49    52    60    62   0.34800  1.0 3.0
   49    52    60    63   0.34800  1.0 3.0
   49    53    64    65   3.00000 -1.0 2.0
   49    53    64    68  -0.80800  1.0 1.0
   49    53    64    68   2.06850 -1.0 2.0
   50    49    52    58   0.00000  1.0 1.0
   50    49    52    60   0.34800  1.0 3.0
   50    49    53    64   0.08050  1.0 3.0
   52    49    53    64  -0.82050  1.0 1.0
   52    49    53    64   0.00600 -1.0 2.0
   52    49    53    64   0.04400  1.0 3.0
   52    58    66    67   0.00000  1.0 1.0
   52    58    66    71   0.09850  1.0 1.0
   52    58    66    71   0.15250 -1.0 2.0
   52    58    66    71  -0.50650  1.0 3.0
   52    58    66    73   0.09850  1.0 1.0
   52    58    66    73   0.15250 -1.0 2.0
   52    58    66    73  -0.50650  1.0 3.0
   58    52    60    61   0.00000  1.0 1.0
   58    52    60    62   0.00000  1.0 1.0
   58    52    60    63   0.00000  1.0 1.0
   58    66    71    72   0.15000  1.0 3.0
   58    66    71    77   0.34400  1.0 1.0
   58    66    71    77   0.09450 -1.0 2.0
   58    66    71    77   0.11100  1.0 3.0
   58    66    71    79   1.05650  1.0 1.0
   58    66    71    79   0.15600 -1.0 2.0
   58    66    71    79   0.53150  1.0 3.0
   58    66    73    74   0.15000  1.0 3.0
   58    66    73    75   0.15000  1.0 3.0
   58    66    73    76   0.15000  1.0 3.0
   59    58    66    67   0.33100  1.0 3.0
   59    58    66    71   0.00000  1.0 1.0
   59    58    66    73   0.00000  1.0 1.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    81   0.56750  1.0 1.0
   66    71    77    81  -0.07550 -1.0 2.0
   66    71    77    81   0.20000  1.0 3.0
   66    71    77    84   0.62750  1.0 1.0
   66    71    77    84  -0.30950 -1.0 2.0
   66    71    77    84   0.27300  1.0 3.0
   66    71    79    80  -0.11600  1.0 1.0
   66    71    79    80  -0.09450 -1.0 2.0
   66    71    79    80   0.21250  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   67    66    71    79   0.23400  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   71    66    73    74   0.15000  1.0 3.0
   71    66    73    75   0.15000  1.0 3.0
   71    66    73    76   0.15000  1.0 3.0
   71    77    81    82   0.15000  1.0 3.0
   71    77    81    83   0.15000  1.0 3.0
   71    77    81    85   0.56750  1.0 1.0
   71    77    81    85  -0.07550 -1.0 2.0
   71    77    81    85   0.20000  1.0 3.0
   71    77    84    87   0.06250  1.0 1.0
   71    77    84    87  -0.01100 -1.0 2.0
   71    77    84    87   0.28050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    81   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   72    71    79    80   0.19450  1.0 3.0
   77    71    79    80  -0.11600  1.0 1.0
   77    71    79    80  -0.09450 -1.0 2.0
   77    71    79    80   0.21250  1.0 3.0
   77    81    85    86   0.15000  1.0 3.0
   77    81    85    91   0.56750  1.0 1.0
   77    81    85    91  -0.07550 -1.0 2.0
   77    81    85    91   0.20000  1.0 3.0
   77    81    85    94   0.56750  1.0 1.0
   77    81    85    94  -0.07550 -1.0 2.0
   77    81    85    94   0.20000  1.0 3.0
   77    84    87    88   0.37050  1.0 3.0
   77    84    87    89   0.37050  1.0 3.0
   77    84    87    90   0.37050  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    85   0.15000  1.0 3.0
   78    77    84    87   0.37050  1.0 3.0
   81    77    84    87   0.06250  1.0 1.0
   81    77    84    87  -0.01100 -1.0 2.0
   81    77    84    87   0.28050  1.0 3.0
   81    85    91    92   0.15000  1.0 3.0
   81    85    91    93   0.15000  1.0 3.0
   81    85    91    98   0.34400  1.0 1.0
   81    85    91    98   0.09450 -1.0 2.0
   81    85    91    98   0.11100  1.0 3.0
   81    85    94    95   0.15000  1.0 3.0
   81    85    94    96   0.15000  1.0 3.0
   81    85    94    97   0.15000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    91   0.15000  1.0 3.0
   82    81    85    94   0.15000  1.0 3.0
   83    81    85    86   0.15000  1.0 3.0
   83    81    85    91   0.15000  1.0 3.0
   83    81    85    94   0.15000  1.0 3.0
   85    91    98    99   0.09850  1.0 1.0
   85    91    98    99   0.15250 -1.0 2.0
   85    91    98    99  -0.50650  1.0 3.0
   85    91    98   110   0.09700  1.0 1.0
   85    91    98   110   0.15600 -1.0 2.0
   85    91    98   110  -0.50800  1.0 3.0
   86    85    91    92   0.15000  1.0 3.0
   86    85    91    93   0.15000  1.0 3.0
   86    85    91    98   0.15000  1.0 3.0
   86    85    94    95   0.15000  1.0 3.0
   86    85    94    96   0.15000  1.0 3.0
   86    85    94    97   0.15000  1.0 3.0
   91    85    94    95   0.15000  1.0 3.0
   91    85    94    96   0.15000  1.0 3.0
   91    85    94    97   0.15000  1.0 3.0
   91    98    99   100   7.00000 -1.0 2.0
   91    98    99   102   7.00000 -1.0 2.0
   91    98   110   109   1.50000 -1.0 2.0
   91    98   110   111  -0.64400  1.0 1.0
   91    98   110   111   0.26850 -1.0 2.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   110   0.15000  1.0 3.0
   93    91    98    99   0.00000  1.0 1.0
   93    91    98   110   0.15000  1.0 3.0
   98    99   100   101   1.00000 -1.0 2.0
   98    99   100   103  -1.18350  1.0 1.0
   98    99   100   103   1.45950 -1.0 2.0
   98    99   102   105  -2.26850  1.0 1.0
   98    99   102   105   3.39050 -1.0 2.0
   99    98   110   109  -1.18350  1.0 1.0
   99    98   110   109   1.45950 -1.0 2.0
   99    98   110   111   1.00000 -1.0 2.0
   99   100   103   104   0.93700 -1.0 2.0
   99   100  -103   109  -1.18350  1.0 1.0
   99   100  -103   109   1.45950 -1.0 2.0
   99   102   105   106   0.08050  1.0 3.0
   99   102   105   107   0.08050  1.0 3.0
   99   102   105   108   0.08050  1.0 3.0
  100    99   102   105   0.15100 -1.0 2.0
  100   103   109   110   7.00000 -1.0 2.0
  100   103   109   112   7.00000 -1.0 2.0
  101   100   103   104   0.00000  1.0 1.0
  101   100   103   109   1.00000 -1.0 2.0
  103   109  -110    98  -1.18350  1.0 1.0
  103   109  -110    98   1.45950 -1.0 2.0
  103   109   110   111   1.00000 -1.0 2.0
  103   109   112   113   1.00000 -1.0 2.0
  103   109   112   114  -0.54500  1.0 1.0
  103   109   112   114   1.14150 -1.0 2.0
  104   103   109   110   7.00000 -1.0 2.0
  104   103   109   112   7.00000 -1.0 2.0
  109   112   114   115   1.00000 -1.0 2.0
  109   112   114    40  -0.54500  1.0 1.0
  109   112   114    40   1.14150 -1.0 2.0
  110    98   -99   100   7.00000 -1.0 2.0
  110    98    99   102   7.00000 -1.0 2.0
  110   109   112   113   1.00000 -1.0 2.0
  110   109   112   114   1.00000 -1.0 2.0
  112   109   110    98   1.50000 -1.0 2.0
  112   109   110   111  -0.52200  1.0 1.0
  112   109   110   111   0.82950 -1.0 2.0
  112   114    40    33   7.00000 -1.0 2.0
  112   114    40    43   7.00000 -1.0 2.0
  113   112   114   115   1.00000 -1.0 2.0
  113   112   114    40   1.00000 -1.0 2.0
  114    40    43    44   0.00000  1.0 1.0
  114    40    43    45   0.00000  1.0 1.0
  114    40    43    46   0.00000  1.0 1.0
  115   114    40    33   7.00000 -1.0 2.0
  115   114    40    43   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
  102    99   100   101  -0.11900  1.0 1.0
  102    99   100   101   0.76850 -1.0 2.0
  102    99   100   101   0.14100  1.0 3.0
  102    99   100   103   1.50000 -1.0 2.0
   94    85    91    92   0.15000  1.0 3.0
   94    85    91    93   0.15000  1.0 3.0
   94    85    91    98   0.34400  1.0 1.0
   94    85    91    98   0.09450 -1.0 2.0
   94    85    91    98   0.11100  1.0 3.0
   84    77    81    82   0.23400  1.0 3.0
   84    77    81    83   0.23400  1.0 3.0
   84    77    81    85   0.62750  1.0 1.0
   84    77    81    85  -0.30950 -1.0 2.0
   84    77    81    85   0.27300  1.0 3.0
   79    71    77    78   0.23400  1.0 3.0
   79    71    77    81   0.86500  1.0 1.0
   79    71    77    81  -0.17500 -1.0 2.0
   79    71    77    81   0.20800  1.0 3.0
   79    71    77    84   3.69350  1.0 1.0
   79    71    77    84  -1.82950 -1.0 2.0
   73    66    71    72   0.15000  1.0 3.0
   73    66    71    77   0.56750  1.0 1.0
   73    66    71    77  -0.07550 -1.0 2.0
   73    66    71    77   0.20000  1.0 3.0
   73    66    71    79   0.86500  1.0 1.0
   73    66    71    79  -0.17500 -1.0 2.0
   73    66    71    79   0.20800  1.0 3.0
   60    52    58    59   7.00000 -1.0 2.0
   60    52    58    66   7.00000 -1.0 2.0
   53    49    52    58   0.39000  1.0 1.0
   53    49    52    58  -0.05800 -1.0 2.0
   53    49    52    58  -0.55150  1.0 3.0
   53    49    52    60   0.09700  1.0 1.0
   53    49    52    60   0.15600 -1.0 2.0
   53    49    52    60  -0.50800  1.0 3.0
   53    64    68    69   2.56700 -1.0 2.0
   53    64    68    70   2.56700 -1.0 2.0
   65    64    68    69   2.45000 -1.0 2.0
   65    64    68    70   2.45000 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    53   1.11900  1.0 1.0
   51    47    49    53  -1.16350 -1.0 2.0
   51    47    49    53  -0.34150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   49    60    52    58   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   91   110    98    99   1.10000 -1.0 2.0
  100   102    99    98   1.10000 -1.0 2.0
   99   103   100   101  10.50000 -1.0 2.0
  100   104   103   109   1.10000 -1.0 2.0
  110   112   109   103   1.10000 -1.0 2.0
   98   109   110   111  10.50000 -1.0 2.0
  113   109   112   114   1.00000 -1.0 2.0
  112   115   114    40   1.10000 -1.0 2.0
   33    43    40   114   1.10000 -1.0 2.0
   53    68    64    65  10.50000 -1.0 2.0
   70    64    68    69   1.00000 -1.0 2.0
END
