* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    217    340     648
    1     0 S   NP   _N1_     1    30.44992   101.58208   -18.86109
    2     1 S   H    _HN1     2     1.02797    84.49112   -92.79523
    3     1 S   H    _H1_     3     1.02939    43.15376    31.78573
    4     1 S   H    _H2_     4     1.02822    81.49454   158.12414
    5     1 S   CT   _CA1     5     1.50155   153.44106    38.11778
    6     5 S   HC   _HA1     6     1.09570   105.08332   172.97094
    7     5 S   CO3  _C1_     7     1.53715   112.68743    52.89432
    8     7 S   O2Z  _O11     8     1.26394   114.98968   -36.15737
    9     7 S   O2Z  _O12     9     1.26241   115.01601   142.99573
   10     5 S   CT   _CB1    10     1.53071   107.40037   -68.97287
   11    10 S   HC   HB11    11     1.09845   109.21908   -47.98233
   12    10 S   HC   HB12    12     1.09811   110.50089    68.61344
   13    10 S   CT   _CG1    13     1.53040   112.73140  -168.90094
   14    13 S   HC   HG11    14     1.09501   110.85221   -71.29467
   15    13 S   HC   HG12    15     1.09669   109.59549    47.89550
   16    13 S   C    _CD1    16     1.51830   111.75885   168.36521
   17    16 S   O    _OE1    17     1.22759   123.06532    19.05348
   18    16 S   N    _N2_    18     1.38557   111.88797  -160.85746
   19    18 S   H    _HN2    19     1.01568   118.93887    -0.75225
   20    18 S   CT1  _CA2    20     1.46371   123.60356   174.50488
   21    20 S   HC   _HA2    21     1.09738   109.45319     5.97937
   22    20 S   C    _C2_    22     1.53656   108.26518  -109.36163
   23    22 S   O    _O2_    23     1.23046   122.42465  -146.79419
   24    20 S   CT   _CB2    32     1.53358   111.27880   128.37421
   25    24 S   HC   HB21    33     1.09237   109.14891    55.04584
   26    24 S   HC   HB22    34     1.09468   110.31831   173.62883
   27    22 S   N    _N3_    24     1.38380   113.65766    40.61451
   28    27 S   H    _HN3    25     1.01545   119.54853    -2.91188
   29    24 S   S    _SG2    35     1.82766   110.41810   -67.39803
   30    27 S   CT   _CA3    26     1.45260   123.36309   177.43654
   31    30 S   HC   HA31    27     1.09544   107.48930   -65.71446
   32    30 S   HC   HA32    28     1.09553   108.03844    50.76564
   33    29 S   CT   _C17    36     1.88197   103.19567   155.54564
   34    30 S   CO3  _C3_    29     1.52996   113.99652   172.78877
   35    34 S   O2Z  _O31    30     1.26394   116.09377    -0.33920
   36    34 S   O2Z  _O32    31     1.26426   114.41505   179.71469
   37    33 S   CT   _C16    37     1.54916   109.26797   -62.12746
   38    37 S   HC   _H6_    38     1.09352   113.22724    70.61688
   39    33 S   CT   _C30   110     1.60926   107.16198    56.08980
   40    39 S   OM   _O40   111     1.32580   111.03639    61.25792
   41    39 S   HC   _H37   112     1.10260   105.15998   -65.94184
   42    39 S   HC   _H38   113     1.09512   108.09109  -169.63707
   43    37 S   CT   _C15    39     1.53576   105.23477  -170.52246
   44    43 S   HC   _H21    40     1.09594   110.92615   -91.09137
   45    43 S   HC   _H22    41     1.09486   111.53717   149.44612
   46    37 S   OS   _O36    57     1.43197   110.36081   -49.01008
   47    43 S   CT   _C14    42     1.54022   104.97866    28.71717
   48    47 S   HC   _H5_    43     1.08054   107.48725   128.15487
   49    33 S   CT   _C18    44     1.63140   117.36314  -169.65352
   50    47 S   OS   _O35    91     1.44171   108.67570  -116.74194
   51    49 S   CT   _C19    45     1.64699   113.42945    51.05967
   52    49 S   CT   _C29   106     1.53808   112.97082   -75.26670
   53    52 S   HC   _H34   107     1.09435   111.41099    59.44168
   54    52 S   HC   _H35   108     1.09234   112.90104   -61.24183
   55    52 S   HC   _H36   109     1.09279   111.87119  -179.82529
   56    51 S   CT   _C20    46     1.56900   112.34958   -76.95726
   57    56 S   HC   _H23    47     1.08061   112.80664    46.85508
   58    56 S   HC   _H24    48     1.09832   109.95436   -69.11556
   59    51 S   CT   _C26    62     1.59405   113.53750   168.13763
   60    59 S   HC   _H31    63     1.09446   110.53424    50.78748
   61    59 S   HC   _H32    64     1.09445   110.06509   168.78544
   62    56 S   CT   _C21    49     1.53519   115.59315   168.62748
   63    62 S   HC   _H25    50     1.09780   107.86353  -158.87333
   64    62 S   HC   _H26    51     1.09661   110.03164    86.11694
   65    59 S   OS   _O37    65     1.43359   114.49766   -71.99628
   66    62 S   CM   _C22    52     1.50015   114.47879   -36.93918
   67    65 S   CO4  _C27    66     1.36265   116.45203  -174.30113
   68    67 S   O    _O38    67     1.22500   125.55773     2.08863
   69    66 S   CM   _C23    53     1.34172   122.49608    12.87474
   70    69 S   HC   _H27    54     1.08848   118.98764  -179.39769
   71    66 S   CT   _C25    58     1.50082   115.85437  -167.63311
   72    71 S   HC   _H28    59     1.09482   110.28047   -56.90677
   73    71 S   HC   _H29    60     1.09456   112.11020  -176.71819
   74    71 S   HC   _H30    61     1.09470   110.26397    62.97455
   75    67 S   CT   _C28    68     1.52340   110.38192  -175.11757
   76    75 S   HC   _H8_    69     1.09581   106.32461    74.29940
   77    51 S   CT   _C24    55     1.56606   109.01355    47.31844
   78    77 S   HC   _H7_    56     1.09543   109.17328    86.64480
   79    75 S   CT   _C5_    70     1.54285   114.16039   -47.50161
   80    79 S   HC   _H3_    71     1.09782   108.63118    61.78365
   81    75 S   OH   _O39   104     1.42238   108.65672  -170.23533
   82    81 S   HO   _H33   105     0.97311   107.44687   -57.50777
   83    79 S   CT   _C6_    72     1.54820   112.74906  -178.45998
   84    83 S   HC   _H13    73     1.09821   107.64252  -175.03777
   85    83 S   HC   _H14    74     1.09695   110.28306    69.02605
   86    79 S   CT   _C4_   100     1.53710   111.76929   -56.28298
   87    86 S   HC   _H10   101     1.09511   111.52531   -60.47479
   88    86 S   HC   _H11   102     1.09554   110.60403   179.50981
   89    86 S   HC   _H12   103     1.09449   111.47081    60.41785
   90    83 S   CT   _C7_    75     1.52773   115.37060   -54.54403
   91    90 S   HC   _H15    76     1.09535   110.65691    67.20953
   92    90 S   HC   _H16    77     1.09575   108.94309  -174.14663
   93    90 S   OS   _O33    78     1.42445   109.64174   -53.84867
   94    93 S   CT   _C8_    79     1.43408   113.09907  -175.22972
   95    94 S   HC   _H4_    80     1.09904   110.03401   -26.53249
   96    94 S   CM   _C9_    81     1.50691   106.48077  -143.79838
   97    96 S   HC   _H17    82     1.08822   116.29272   -49.22244
   98    94 S   CT   _C31    92     1.54241   109.62047    93.23011
   99    98 S   HC   _H9_    93     1.09628   108.59156   -57.62874
  100    96 S   CM   _C10    83     1.34288   124.12341   129.75548
  101   100 S   HC   _H18    84     1.08663   120.22369     3.53994
  102    98 S   CT   _C32    94     1.52650   114.52022    62.68244
  103   102 S   HC   _H39    95     1.09495   111.54033    67.23023
  104   102 S   HC   _H40    96     1.09392   111.67050   -55.12896
  105   102 S   HC   _H41    97     1.09579   110.02622  -175.30810
  106    98 S   OH   _O41    98     1.42659   109.21290  -174.08971
  107   106 S   HO   _H42    99     0.97247   107.62420   178.55368
  108   100 S   CM   _C11    85     1.44713   123.99661  -179.37317
  109   108 S   HC   _H19    86     1.08769   114.83525  -125.13980
  110   108 S   CM   _C12    87     1.34101   126.85303    55.71800
  111   110 S   HC   _H20    88     1.08386   121.46536  -177.61197
  112   110 S   CO4  _C13    89     1.47299   121.24986     2.29900
  113   112 S   O    _O34    90     1.22074   124.27001    63.83697
  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  13   5   4   3
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4   3
   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14   9
   3   1  11   6   5   4   2   1   1   7   3   2   9  14   7  10
   4   8   6   6   3   5   3   2   1   1   1   5   3   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    56    77    46    59    50    52    53    54    55    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    69    77    78    46    50    52    39    40    41    42  
   43    44    45    47    49    77    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    77    46   112    50    52  
   45    47    48    49    46    50  
   47    48    49    46    50  
   59    47    49    51    56    66    69    70    77    78  
   48    49    51    56    77    59   110   112   113    50    52    53    54    55  
   49    51   112    50    52  
   51    56    57    58    62    69    77    78    59    60    61    65   112    50    52    53    54    55  
   52    51   108   110   111   112   113  
   56    57    58    62    63    64    66    69    70    77    78    59    60    61    65    67    52    53    54    55  
   53    54    55    56    59    77  
   54    55  
   55  
    0  
   57    58    62    63    64    66    69    77    78    71    59    60    61    65  
   58    62    63    64    66    77    59  
   62    63    64    66    77    59  
   60    61    65    67    68    75    62    69    77    78  
   61    65    67    77  
   65    67    77  
   63    64    66    69    70    77    71    72    73    74  
   64    66    69    71  
   66    69    71  
   67    68    75    76    79    81    77  
   69    70    77    78    71    72    73    74  
   68    75    76    79    80    83    86    81    82  
   75    76    79    81  
   70    77    78    71    72    73    74  
   77    78    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    79    80    83    84    85    90    86    87    88    89    81    82  
   79    80    83    86    81    82  
   78  
    0  
   80    83    84    85    90    91    92    93    86    87    88    89    81    82  
   83    84    85    90    86    87    88    89    81  
   82    83    86  
    0  
   84    85    90    91    92    93    94    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96    98  
   92    93    94  
   93    94  
   94    95    96    97   100    98    99   102   106  
   95    96    97   100   101   108    98    99   102   103   104   105   106   107  
   96    97   100    98    99   102   106  
   97   100   101   108   109   110    98    99   102   106  
  100   101   108    98  
   99   102   103   104   105   106   107   100  
  102   103   104   105   106   107  
  101   108   109   110   111   112  
  108   109   110  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106  
  107  
    0  
  109   110   111   112   113  
  110   111   112  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.430000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    77   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    46   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   320.000  1.410
   94    95   340.000  1.090
   94    96   317.000  1.510
   94    98   268.000  1.529
   96    97   340.000  1.080
   96   100   549.000  1.340
  100   101   340.000  1.080
  100   108   380.000  1.444
  108   109   340.000  1.080
  108   110   549.000  1.340
  110   111   340.000  1.080
  110   112   320.000  1.462
  112   113   570.000  1.229
  112    50   214.000  1.327
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   106   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    77    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50   112    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    77    58.35000  112.70000
   49    51    59    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   51    77    69    70.00000  112.02700
   51    77    78    37.50000  110.70000
   51    77    46    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    65    50.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    66    70.00000  112.02700
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    71    65.00000  117.92700
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    46    85.00000  110.90400
   77    51    56    58.35000  112.70000
   77    69    70    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    77    78    35.00000  109.50000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    51    56    58.35000  112.70000
   59    51    77    58.35000  112.70000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    79    63.00000  111.10000
   67    75    81    90.00000  109.61100
   75    67    68    80.00000  120.40000
   75    79    80    37.50000  110.70000
   75    79    83    58.35000  112.70000
   75    79    86    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    60.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    35.00000  109.50000
   93    94    96    85.00000  110.90400
   93    94    98    50.00000  109.50000
   94    96    97    35.00000  117.00000
   94    96   100    70.00000  124.00000
   94    98    99    37.50000  110.70000
   94    98   102    58.35000  112.70000
   94    98   106    50.00000  109.50000
   96    94    95    35.00000  109.50000
   96   100   101    35.00000  120.00000
   96   100   108    70.00000  123.01800
  100    96    97    35.00000  120.00000
  100   108   109    35.00000  120.00000
  100   108   110    70.00000  123.01800
  108   100   101    35.00000  120.00000
  108   110   111    35.00000  120.00000
  108   110   112    65.00000  118.96000
  110   108   109    35.00000  120.00000
  110   112   113    80.00000  123.72100
  110   112    50    90.00000  111.29400
  112   110   111    40.00000  117.72500
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50   112   113    83.00000  123.40000
   98    94    95    37.50000  110.70000
   98    94    96    70.00000  112.02700
   98   102   103    37.50000  110.70000
   98   102   104    37.50000  110.70000
   98   102   105    37.50000  110.70000
   98   106   107    55.00000  108.50000
  102    98    99    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106    98    99    35.00000  109.50000
  106    98   102    50.00000  109.50000
   86    79    80    37.50000  110.70000
   86    79    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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
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   83    90    93    94   0.28050  1.0 3.0
   84    83    90    91   0.15000  1.0 3.0
   84    83    90    92   0.15000  1.0 3.0
   84    83    90    93   0.23400  1.0 3.0
   85    83    90    91   0.15000  1.0 3.0
   85    83    90    92   0.15000  1.0 3.0
   85    83    90    93   0.23400  1.0 3.0
   90    93    94    95   0.37050  1.0 3.0
   90    93    94    96  -0.77900  1.0 1.0
   90    93    94    96  -0.36900 -1.0 2.0
   90    93    94    96   0.40400  1.0 3.0
   90    93    94    98   0.06250  1.0 1.0
   90    93    94    98  -0.01100 -1.0 2.0
   90    93    94    98   0.28050  1.0 3.0
   91    90    93    94   0.37050  1.0 3.0
   92    90    93    94   0.37050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96   100   0.39000  1.0 1.0
   93    94    96   100  -0.05800 -1.0 2.0
   93    94    96   100  -0.55150  1.0 3.0
   93    94    98    99   0.23400  1.0 3.0
   93    94    98   102   0.62750  1.0 1.0
   93    94    98   102  -0.30950 -1.0 2.0
   93    94    98   102   0.27300  1.0 3.0
   93    94    98   106   3.69350  1.0 1.0
   93    94    98   106  -1.82950 -1.0 2.0
   94    96   100   101   7.00000 -1.0 2.0
   94    96   100   108   7.00000 -1.0 2.0
   94    98   102   103   0.15000  1.0 3.0
   94    98   102   104   0.15000  1.0 3.0
   94    98   102   105   0.15000  1.0 3.0
   94    98   106   107  -0.11600  1.0 1.0
   94    98   106   107  -0.09450 -1.0 2.0
   94    98   106   107   0.21250  1.0 3.0
   95    94    96    97   0.33100  1.0 3.0
   95    94    96   100   0.00000  1.0 1.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   102   0.15000  1.0 3.0
   95    94    98   106   0.23400  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   102   0.34400  1.0 1.0
   96    94    98   102   0.09450 -1.0 2.0
   96    94    98   102   0.11100  1.0 3.0
   96    94    98   106   1.05650  1.0 1.0
   96    94    98   106   0.15600 -1.0 2.0
   96    94    98   106   0.53150  1.0 3.0
   96   100   108   109  -0.18600  1.0 3.0
   96   100   108   110   0.28850  1.0 1.0
   96   100   108   110   2.61350 -1.0 2.0
   96   100   108   110   0.78400  1.0 3.0
   97    96   100   101   7.00000 -1.0 2.0
   97    96   100   108   7.00000 -1.0 2.0
  100   108   110   111   7.00000 -1.0 2.0
  100   108   110   112   7.00000 -1.0 2.0
  101   100   108   109   0.00000  1.0 1.0
  101   100   108   110  -0.18600  1.0 3.0
  108   110   112   113   1.00000 -1.0 2.0
  108   110   112    50  -0.56150  1.0 1.0
  108   110   112    50   2.19150 -1.0 2.0
  109   108   110   111   7.00000 -1.0 2.0
  109   108   110   112   7.00000 -1.0 2.0
  110   112    50    47   2.00000 -1.0 2.0
  111   110   112   113   0.00000  1.0 1.0
  111   110   112    50   1.63100 -1.0 2.0
  113   112    50    47   3.00000 -1.0 2.0
   50    47    49    33   0.62750  1.0 1.0
   50    47    49    33  -0.30950 -1.0 2.0
   50    47    49    33   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   98    94    96    97   0.00000  1.0 1.0
   98    94    96   100   0.09850  1.0 1.0
   98    94    96   100   0.15250 -1.0 2.0
   98    94    96   100  -0.50650  1.0 3.0
   99    98   102   103   0.15000  1.0 3.0
   99    98   102   104   0.15000  1.0 3.0
   99    98   102   105   0.15000  1.0 3.0
   99    98   106   107   0.19450  1.0 3.0
  102    98   106   107  -0.11600  1.0 1.0
  102    98   106   107  -0.09450 -1.0 2.0
  102    98   106   107   0.21250  1.0 3.0
  106    98   102   103   0.23400  1.0 3.0
  106    98   102   104   0.23400  1.0 3.0
  106    98   102   105   0.23400  1.0 3.0
   86    79    83    84   0.15000  1.0 3.0
   86    79    83    85   0.15000  1.0 3.0
   86    79    83    90   0.56750  1.0 1.0
   86    79    83    90  -0.07550 -1.0 2.0
   86    79    83    90   0.20000  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   0.86500  1.0 1.0
   81    75    79    83  -0.17500 -1.0 2.0
   81    75    79    83   0.20800  1.0 3.0
   81    75    79    86   0.86500  1.0 1.0
   81    75    79    86  -0.17500 -1.0 2.0
   81    75    79    86   0.20800  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    77   0.56750  1.0 1.0
   52    49    51    77  -0.07550 -1.0 2.0
   52    49    51    77   0.20000  1.0 3.0
   52    49    51    59   0.56750  1.0 1.0
   52    49    51    59  -0.07550 -1.0 2.0
   52    49    51    59   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   62    71    66    69   1.10000 -1.0 2.0
   77    70    69    66   1.10000 -1.0 2.0
   65    75    67    68  10.50000 -1.0 2.0
   94    97    96   100   1.10000 -1.0 2.0
  108   101   100    96   1.10000 -1.0 2.0
  100   109   108   110   1.10000 -1.0 2.0
  112   111   110   108   1.10000 -1.0 2.0
  110    50   112   113  10.50000 -1.0 2.0
END
