* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    212    304     612
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070    88.27063    43.17380
    3     1 S   H    _H1_     3     1.02101    33.02714   172.58651
    4     1 S   H    _H2_     4     1.02101    92.19428   -65.45650
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C23    36     1.87534    97.09032  -178.15953
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C22    37     1.50312   105.28070    60.01019
   38    37 S   HC   _H20    38     1.08805   117.41297    68.19661
   39    33 S   CT   _C24    73     1.56108   108.62926  -177.74493
   40    39 S   HC   _H9_    74     1.08693   106.54414    58.91894
   41    37 S   CM   _C21    39     1.33542   124.78946  -112.33342
   42    39 S   OS   _O34    75     1.43798   109.04530   -55.07901
   43    41 S   CM   _C20    40     1.43214   122.16587     0.34548
   44    43 S   HC   _H19    41     1.08320   118.82014  -178.28605
   45    42 S   CT   _C25    76     1.41647   111.01375   148.89710
   46    45 S   HC   _H21    77     1.09323   109.47374  -180.00000
   47    45 S   HC   _H22    78     1.09199   109.54890    59.17136
   48    45 S   HC   _H23    79     1.09255   108.93949   -60.48127
   49    41 S   OH   _O36   117     1.37968   120.85891  -179.32914
   50    49 S   HO   _H24   118     0.96412   109.94446    -0.29074
   51    43 S   CM   _C19    42     1.47946   121.46512    -1.20496
   52    33 S   CO4  _C26    43     1.53536   103.06093   -60.41619
   53    52 S   O    _O35    44     1.22817   123.29043   -65.27115
   54    51 S   NI   _N4_    45     1.29671   127.58394  -177.99738
   55    54 S   CD   _C18    46     1.37117   118.44367    -1.39648
   56    55 S   OM   _O33    47     1.22655   125.97258   -74.97940
   57    55 S   CM   _C17    48     1.49238   112.03606   105.97018
   58    57 S   CM   _C16    49     1.34304   114.28451  -125.49011
   59    58 S   HC   _H18    50     1.10331   117.23350     1.92590
   60    57 S   CT   _C27   113     1.49508   117.54481    56.28504
   61    60 S   HC   _H25   114     1.08878   109.58298   -91.98983
   62    60 S   HC   _H26   115     1.08855   109.60694   147.85987
   63    60 S   HC   _H27   116     1.08835   109.64476    28.17800
   64    58 S   CM   _C15    51     1.44133   127.82802  -178.41378
   65    64 S   HC   _H17    52     1.11103   115.48257   111.75563
   66    64 S   CM   _C14    53     1.34206   129.87303   -67.79423
   67    66 S   HC   _H16    54     1.12384   113.73708  -175.04232
   68    66 S   CT   _C13    55     1.51159   132.91776     2.47164
   69    68 S   HC   _H8_    56     1.15599   108.88624   123.32774
   70    68 S   CT   _C12    57     1.55142   115.25890  -119.04513
   71    70 S   HC   _H7_    58     1.12743   106.85886  -154.63613
   72    68 S   OS   _O37   108     1.41930   113.38654     8.41748
   73    70 S   CM   _C11    59     1.52357   116.84545    84.72644
   74    70 S   OS   _O38   102     1.42612   111.10965   -41.02896
   75    72 S   CT   _C28   109     1.41910   111.28089   159.99392
   76    75 S   HC   _H28   110     1.09197   109.50162   179.98022
   77    75 S   HC   _H29   111     1.09358   109.49340    59.21344
   78    75 S   HC   _H30   112     1.09240   108.95380   -60.37732
   79    73 S   CM   _C10    60     1.35007   119.11203   128.73573
   80    79 S   HC   _H15    61     1.09046   117.37864     2.60218
   81    73 S   CT   _C30    98     1.50270   117.65558   -52.53233
   82    81 S   HC   _H33    99     1.08566   109.20985   -88.69842
   83    81 S   HC   _H34   100     1.08622   109.18587   151.08994
   84    81 S   HC   _H35   101     1.08605   109.17196    31.49110
   85    74 S   CO4  _C29   103     1.36518   115.83304   -84.99205
   86    85 S   O    _O39   104     1.22658   125.20067     0.02798
   87    79 S   CT   _C9_    62     1.51234   127.62663  -176.94213
   88    87 S   HC   _H6_    63     1.05750   111.20745    28.93441
   89    85 S   N    _N5_   105     1.37273   110.51803   180.00000
   90    89 S   H    _H31   106     1.01481   119.30234   179.96044
   91    89 S   H    _H32   107     1.01466   121.37578     0.02798
   92    87 S   CT   _C8_    64     1.55041   112.11837   148.09179
   93    92 S   HC   _H5_    65     1.09100   107.75250    68.27351
   94    87 S   CT   _C31    94     1.53617   109.25875   -89.67986
   95    94 S   HC   _H36    95     1.08820   109.69565   -59.11778
   96    94 S   HC   _H37    96     1.08747   109.68193  -179.10913
   97    94 S   HC   _H38    97     1.08809   109.70115    60.86467
   98    92 S   CT   _C7_    66     1.54584   115.72537   -52.94218
   99    98 S   HC   _H4_    67     1.09381   109.80081    55.45921
  100    92 S   OS   _O40    89     1.43199   108.09519  -175.55737
  101    98 S   CT   _C6_    68     1.54031   113.88500   -68.39523
  102   101 S   HC   _H13    69     1.08170   108.21866    54.13156
  103   101 S   HC   _H14    70     1.08113   108.65778   -61.32263
  104    98 S   OS   _O41    84     1.43184   106.49316   171.39148
  105   100 S   CT   _C32    90     1.41778   111.17764  -160.01145
  106   105 S   HC   _H39    91     1.09359   109.49389   179.97202
  107   105 S   HC   _H40    92     1.09346   109.52352    59.24038
  108   105 S   HC   _H41    93     1.09222   108.99397   -60.44484
  109   101 S   CT   _C5_    71     1.54980   114.26788   176.20491
  110   109 S   HC   _H3_    72     1.13593   106.75124    43.88103
  111   104 S   CT   _C33    85     1.41969   111.33118   -76.67325
  112   111 S   HC   _H42    86     1.09191   109.54089  -180.00000
  113   111 S   HC   _H43    87     1.09291   109.49447    59.16525
  114   111 S   HC   _H44    88     1.09294   108.93912   -60.41764
  115   109 S   CT   _C4_    80     1.53001   111.16236   -69.38170
  116   115 S   HC   _H10    81     1.08646   109.39874   -65.32332
  117   115 S   HC   _H11    82     1.08638   109.35337   174.74372
  118   115 S   HC   _H12    83     1.08528   109.37949    54.74196
  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  11   5   4   3
  17   2   1   1  13   5  20   7   7   9   8   4   4   2   1   1
   2   1   6   4   1   5   9   3   9  10   4   4   2   1   1   7
   3   9   4  13   6  15   6   6  12   7   3   2   1   1  15   5
   4   2   1   1   4   3  13   8   2   1   1  18   7   5   2   1
   1  14   7   6  10   5   4   5   3   2   1   1   5   4   3   2
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    52    53   109    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    51    52    53    54   101   109   110    39    40    42    45   115    49  
   35    36  
   36  
    0  
   38    41    43    44    51    52    53   109    39    40    42    49    50  
   41    43    52    39    49  
   40    42    45    46    47    48   115   116   117   118    41    51    52    53    98   101   102   103   109   110  
   42    45   115    52   101   109   110  
   43    44    51    52    54    49    50  
   45    46    47    48   115    52   101   109   110  
   44    51    52    53    54    55    49    50  
   51    52    54    49  
   46    47    48   109  
   47    48  
   48  
    0  
   50    51  
    0  
   52    53    54    55    56    57  
   53    54    55   109  
   54  
   55    56    57    58    60  
   56    57    58    59    64    60    61    62    63  
   57    58    60  
   58    59    64    65    66    60    61    62    63  
   59    64    65    66    67    68    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    72  
   66    67    68  
   67    68    69    70    71    73    74    72    75  
   68    69    70    72  
   69    70    71    73    79    81    74    85    72    75    76    77    78  
   70    71    73    74    72    75  
   71    73    79    80    87    81    82    83    84    74    85    86    89    72    75  
   73    79    81    74    85    72  
   75    76    77    78    73    74  
   79    80    87    88    92    94    81    82    83    84    74    85  
   85    86    89    90    91    79    81  
   76    77    78  
   77    78  
   78  
    0  
   80    87    88    92    93    98   100    94    95    96    97    81    82    83    84  
   87    88    92    94    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91  
   89    90    91  
   88    92    93    98    99   101   104   100   105    94    95    96    97  
   92    93    98   100    94    95    96    97  
   90    91  
   91  
    0  
   93    98    99   101   102   103   109   104   111   100   105   106   107   108    94    95    96    97  
   98    99   101   104   100   105    94  
   95    96    97    98   100  
   96    97  
   97  
    0  
   99   101   102   103   109   110   115   104   111   112   113   114   100   105  
  101   102   103   109   104   111   100  
  105   106   107   108   101   104  
  102   103   109   110   115   116   117   118   104   111  
  103   109   110   115   104  
  109   110   115   104  
  111   112   113   114   109  
  106   107   108  
  107   108  
  108  
    0  
  110   115   116   117   118  
  115   116   117   118  
  112   113   114  
  113   114  
  114  
    0  
  116   117   118  
  117   118  
  118  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   55   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   90   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   91   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   92   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    52   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    43   380.000  1.444
   41    49   510.000  1.338
   43    44   340.000  1.080
   43    51   549.000  1.340
   51    52   320.000  1.462
   51    54   405.000  1.380
   52    53   570.000  1.229
   54    55   500.000  1.261
   55    56   795.000  1.237
   55    57   320.000  1.464
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   380.000  1.444
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    73   317.000  1.510
   70    74   320.000  1.410
   73    79   549.000  1.340
   73    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    92   268.000  1.529
   87    94   268.000  1.529
   92    93   340.000  1.090
   92    98   268.000  1.529
   92   100   320.000  1.410
   98    99   340.000  1.090
   98   101   268.000  1.529
   98   104   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   109   268.000  1.529
  109   110   340.000  1.090
  109    39   268.000  1.529
  109   115   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  104   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  100   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
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    85   214.000  1.327
   85    86   570.000  1.229
   85    89   435.000  1.380
   89    90   434.000  1.010
   89    91   434.000  1.010
   72    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    52    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    52    51    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    39   109    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    43    70.00000  123.01800
   37    41    49    80.00000  121.38400
   41    37    38    35.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    51    70.00000  123.01800
   41    49    50    70.00000  107.45700
   43    51    52    65.00000  118.96000
   43    51    54    70.00000  120.83400
   51    43    44    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    54    55    75.00000  115.77100
   52    33    37    70.00000  109.06800
   54    51    52    85.00000  113.88000
   54    55    56    75.00000  134.47000
   54    55    57    70.00000  121.86000
   55    57    58    60.00000  120.31500
   55    57    60    65.00000  117.22000
   57    55    56    90.00000  107.08000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  123.01800
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  120.00000
   58    64    66    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    70.00000  112.02700
   66    68    72    85.00000  110.90400
   68    66    67    35.00000  117.00000
   68    70    71    37.50000  110.70000
   68    70    73    70.00000  112.02700
   68    70    74    50.00000  109.50000
   68    72    75    60.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    79    70.00000  124.00000
   70    73    81    65.00000  117.92700
   70    74    85    83.00000  116.90000
   73    70    71    35.00000  109.50000
   73    79    80    35.00000  120.00000
   73    79    87    70.00000  124.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    92    70.00000  112.02700
   79    87    94    70.00000  112.02700
   87    79    80    35.00000  117.00000
   87    92    93    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    92   100    50.00000  109.50000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   92    87    88    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   101    58.35000  112.70000
   92    98   104    50.00000  109.50000
   92   100   105    60.00000  109.50000
   98    92    93    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   109    58.35000  112.70000
   98   104   111    60.00000  109.50000
  101    98    99    37.50000  110.70000
  101   109   110    37.50000  110.70000
  101   109    39    58.35000  112.70000
  101   109   115    58.35000  112.70000
  103   101   102    33.00000  107.80000
  109   101   102    37.50000  110.70000
  109   101   103    37.50000  110.70000
  109    39    40    37.50000  110.70000
  109    39    42    50.00000  109.50000
  109   115   116    37.50000  110.70000
  109   115   117    37.50000  110.70000
  109   115   118    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    33    52    63.00000  111.10000
   39   109   110    37.50000  110.70000
   39    42    45    60.00000  109.50000
   42    39    40    35.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
  115   109   110    37.50000  110.70000
  115   109    39    58.35000  112.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  104    98    99    35.00000  109.50000
  104    98   101    50.00000  109.50000
  104   111   112    35.00000  109.50000
  104   111   113    35.00000  109.50000
  104   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  100    92    93    35.00000  109.50000
  100    92    98    50.00000  109.50000
  100   105   106    35.00000  109.50000
  100   105   107    35.00000  109.50000
  100   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    87    88    37.50000  110.70000
   94    87    92    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
   81    73    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    73    85.00000  110.90400
   74    85    86    83.00000  123.40000
   74    85    89   110.00000  108.75700
   85    89    90    50.00000  116.34900
   85    89    91    50.00000  116.34900
   89    85    86    85.00000  125.96000
   91    89    90    35.00000  120.00000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   60    57    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
   49    41    43    80.00000  121.38400
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
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  104    98   101   103   0.23400  1.0 3.0
  104    98   101   109   0.62750  1.0 1.0
  104    98   101   109  -0.30950 -1.0 2.0
  104    98   101   109   0.27300  1.0 3.0
  100    92    98    99   0.23400  1.0 3.0
  100    92    98   101   0.62750  1.0 1.0
  100    92    98   101  -0.30950 -1.0 2.0
  100    92    98   101   0.27300  1.0 3.0
  100    92    98   104   1.11900  1.0 1.0
  100    92    98   104  -1.16350 -1.0 2.0
  100    92    98   104  -0.34150  1.0 3.0
   94    87    92    93   0.15000  1.0 3.0
   94    87    92    98   0.56750  1.0 1.0
   94    87    92    98  -0.07550 -1.0 2.0
   94    87    92    98   0.20000  1.0 3.0
   94    87    92   100   0.62750  1.0 1.0
   94    87    92   100  -0.30950 -1.0 2.0
   94    87    92   100   0.27300  1.0 3.0
   81    73    79    80   7.00000 -1.0 2.0
   81    73    79    87   7.00000 -1.0 2.0
   74    70    73    79   0.39000  1.0 1.0
   74    70    73    79  -0.05800 -1.0 2.0
   74    70    73    79  -0.55150  1.0 3.0
   74    70    73    81   0.09700  1.0 1.0
   74    70    73    81   0.15600 -1.0 2.0
   74    70    73    81  -0.50800  1.0 3.0
   74    85    89    90   2.56700 -1.0 2.0
   74    85    89    91   2.56700 -1.0 2.0
   86    85    89    90   2.45000 -1.0 2.0
   86    85    89    91   2.45000 -1.0 2.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    73   0.61850  1.0 1.0
   72    68    70    73  -0.22750 -1.0 2.0
   72    68    70    73   0.15300  1.0 3.0
   72    68    70    74   1.11900  1.0 1.0
   72    68    70    74  -1.16350 -1.0 2.0
   72    68    70    74  -0.34150  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    64   7.00000 -1.0 2.0
   49    41    43    44   0.00000  1.0 1.0
   49    41    43    51   0.50950  1.0 1.0
   49    41    43    51   0.56650 -1.0 2.0
   49    41    43    51   0.34050  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
   33    38    37    41   1.10000 -1.0 2.0
   43    49    41    37   1.10000 -1.0 2.0
   41    44    43    51   1.10000 -1.0 2.0
   52    54    51    43   1.10000 -1.0 2.0
   33    51    52    53  10.50000 -1.0 2.0
   57    56    55    54  10.50000 -1.0 2.0
   55    60    57    58   1.10000 -1.0 2.0
   64    59    58    57   1.10000 -1.0 2.0
   58    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    81    73    79   1.10000 -1.0 2.0
   87    80    79    73   1.10000 -1.0 2.0
   74    89    85    86  10.50000 -1.0 2.0
   91    85    89    90   1.00000 -1.0 2.0
END
