* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    212    301     609
    1     0 S   NP   _N1_     1    28.74897    94.18170   -18.46508
    2     1 S   H    _HN1     2     1.02992   101.16795    45.82043
    3     1 S   H    _H1_     3     1.02832    34.14147   149.57136
    4     1 S   H    _H2_     4     1.02767    78.47021   -60.87232
    5     1 S   CT   _CA1     5     1.50226   140.18071  -172.05918
    6     5 S   HC   _HA1     6     1.09580   105.22411    36.92189
    7     5 S   CO3  _C1_     7     1.53754   112.48533   -82.94897
    8     7 S   O2Z  _O11     8     1.26300   114.96566   -38.23118
    9     7 S   O2Z  _O12     9     1.26247   114.96272   140.86948
   10     5 S   CT   _CB1    10     1.53036   107.26188   154.59488
   11    10 S   HC   HB11    11     1.09814   109.03565   -53.34807
   12    10 S   HC   HB12    12     1.09692   110.27766    62.88559
   13    10 S   CT   _CG1    13     1.52969   113.20249  -174.93570
   14    13 S   HC   HG11    14     1.09605   110.14139   -64.98410
   15    13 S   HC   HG12    15     1.09621   110.26804    54.32090
   16    13 S   C    _CD1    16     1.51848   112.17193   174.40045
   17    16 S   O    _OE1    17     1.22751   123.12332   -13.33347
   18    16 S   N    _N2_    18     1.38647   111.75159   167.55197
   19    18 S   H    _HN2    19     1.01590   119.00734     0.41307
   20    18 S   CT1  _CA2    20     1.46346   123.45239  -178.17565
   21    20 S   HC   _HA2    21     1.09745   109.21116   -17.39082
   22    20 S   C    _C2_    22     1.53392   108.33446  -133.04919
   23    22 S   O    _O2_    23     1.23003   122.30367  -146.33671
   24    20 S   CT   _CB2    32     1.53547   111.43185   104.69155
   25    24 S   HC   HB21    33     1.09580   109.60719    54.57338
   26    24 S   HC   HB22    34     1.09471   110.64377   173.70686
   27    22 S   N    _N3_    24     1.38530   113.29327    41.11398
   28    27 S   H    _HN3    25     1.01533   118.88637    -0.66588
   29    24 S   S    _SG2    35     1.82495   111.27415   -66.45891
   30    27 S   CT   _CA3    26     1.45446   123.45891   174.99629
   31    30 S   HC   HA31    27     1.09523   109.22516    24.36588
   32    30 S   HC   HA32    28     1.09494   107.11639   141.38285
   33    29 S   CT   _C22    36     1.83643    99.96469   163.41763
   34    33 S   HC   _H9_    37     1.09439   108.95771   -34.28349
   35    30 S   CO3  _C3_    29     1.52936   113.16562   -99.09642
   36    35 S   O2Z  _O31    30     1.26399   115.44706   -43.08154
   37    35 S   O2Z  _O32    31     1.26361   114.95403   137.86811
   38    33 S   CM   _C23    38     1.52535   109.23463  -154.03018
   39    38 S   CMA  _C24    39     1.36190   121.77992   -87.29633
   40    39 S   OM   _O34    40     1.26036   130.91556  -175.22611
   41    38 S   CT   _C25    75     1.53905   116.32869    99.36454
   42    41 S   HC   _H10    76     1.09569   111.09666   164.52483
   43    39 S   CD   _C19    41     1.52996   113.74201     0.23573
   44    41 S   OS   _O35    77     1.44252   109.14445    46.98606
   45    43 S   CM   _C20    42     1.49274   114.31493   -38.75507
   46    45 S   HC   _H20    43     1.08184   119.42731  -146.62921
   47    43 S   NI   _N4_    47     1.29969   130.82947   139.58105
   48    44 S   CT   _C26    78     1.42284   113.13515    80.89326
   49    48 S   HC   _H21    79     1.09333   108.12630   179.97202
   50    48 S   HC   _H22    80     1.09416   110.47217    61.48050
   51    48 S   HC   _H23    81     1.09359   111.10286   -61.20398
   52    33 S   CM   _C21    44     1.50340   109.79555    84.67861
   53    47 S   C    _C18    48     1.37140   121.80531    -9.84838
   54    53 S   O    _O33    49     1.22579   126.56388    76.54334
   55    52 S   OH   _O36    45     1.37913   115.92700   -91.70796
   56    55 S   HO   _H24    46     0.97282   108.12097  -179.25035
   57    53 S   CM   _C17    50     1.51045   110.98449  -110.01876
   58    57 S   CM   _C16    51     1.34837   116.89432   159.94822
   59    58 S   HC   _H19    52     1.08568   118.49774    -2.82022
   60    57 S   CT   _C27   115     1.50581   116.85250   -23.02317
   61    60 S   HC   _H25   116     1.09588   110.64870   -41.67030
   62    60 S   HC   _H26   117     1.09238   113.41230  -160.21305
   63    60 S   HC   _H27   118     1.09465   110.36704    78.51419
   64    58 S   CM   _C15    53     1.44895   125.25281   178.60450
   65    64 S   HC   _H18    54     1.08772   115.95857     7.54704
   66    64 S   CM   _C14    55     1.34307   129.25845  -173.94550
   67    66 S   HC   _H17    56     1.09208   114.76801  -178.75228
   68    66 S   CT   _C13    57     1.51262   133.06875     1.48398
   69    68 S   HC   _H8_    58     1.09861   106.05755   132.09389
   70    68 S   CT   _C12    59     1.55575   113.04448  -110.64795
   71    70 S   HC   _H7_    60     1.09996   107.55358   178.36028
   72    68 S   OS   _O37   110     1.42956   113.60646    12.95314
   73    70 S   CM   _C11    61     1.52639   114.73461    59.25061
   74    70 S   OS   _O38   104     1.44847   110.86702   -64.14747
   75    72 S   CT   _C28   111     1.42244   113.16591    88.98543
   76    75 S   HC   _H28   112     1.09328   108.22113  -176.61297
   77    75 S   HC   _H29   113     1.09422   110.22487    64.87846
   78    75 S   HC   _H30   114     1.09391   111.06345   -57.46042
   79    73 S   CM   _C10    62     1.34860   119.27284    95.53784
   80    79 S   HC   _H16    63     1.09045   117.97526    -1.24096
   81    73 S   CT   _C30   100     1.50491   118.48676   -85.46526
   82    81 S   HC   _H33   101     1.09464   110.05482  -105.34932
   83    81 S   HC   _H34   102     1.09490   111.30017   133.40694
   84    81 S   HC   _H35   103     1.09326   112.40263    13.96632
   85    74 S   CO4  _C29   105     1.36106   117.81235   -80.66816
   86    85 S   O    _O39   106     1.22484   125.70820     0.05595
   87    79 S   CT   _C9_    64     1.51871   127.44966   179.57572
   88    87 S   HC   _H6_    65     1.09337   109.30363    -5.67772
   89    85 S   N    _N5_   107     1.36851   110.15905   179.89165
   90    89 S   H    _H31   108     1.01338   120.98384  -179.93744
   91    89 S   H    _H32   109     1.01320   121.12516    -0.01978
   92    87 S   CT   _C8_    66     1.55620   108.45259   112.97172
   93    92 S   HC   _H5_    67     1.10019   107.34661   -46.59527
   94    87 S   CT   _C31    96     1.53260   107.64640  -121.84220
   95    94 S   HC   _H36    97     1.09523   112.19937   -67.33393
   96    94 S   HC   _H37    98     1.09213   111.68714   171.06389
   97    94 S   HC   _H38    99     1.09680   110.67347    52.65738
   98    92 S   CT   _C7_    68     1.55803   115.33153  -165.87428
   99    98 S   HC   _H4_    69     1.09225   108.72703  -174.27115
  100    92 S   OS   _O40    91     1.43842   107.96247    69.43303
  101    98 S   CT   _C6_    70     1.54751   110.71070    66.22991
  102   101 S   HC   _H14    71     1.09565   109.34261    40.66289
  103   101 S   HC   _H15    72     1.09673   108.85566   -75.23307
  104    98 S   OS   _O41    86     1.42994   112.15343   -54.14136
  105   100 S   CT   _C32    92     1.42133   113.77432  -151.53183
  106   105 S   HC   _H39    93     1.09348   108.02040   175.09575
  107   105 S   HC   _H40    94     1.09423   110.81425    56.61150
  108   105 S   HC   _H41    95     1.09205   111.01267   -66.61797
  109   101 S   CT   _C5_    73     1.55243   116.38705   164.01598
  110   109 S   HC   _H3_    74     1.09792   106.78752   176.09214
  111   104 S   CT   _C33    87     1.42028   114.28295   -86.61926
  112   111 S   HC   _H42    88     1.09356   107.96631  -173.40311
  113   111 S   HC   _H43    89     1.09158   111.26286    68.35229
  114   111 S   HC   _H44    90     1.09416   110.90493   -54.93952
  115   109 S   CT   _C4_    82     1.53598   111.89535    62.02517
  116   115 S   HC   _H11    83     1.09395   111.73325   -76.27597
  117   115 S   HC   _H12    84     1.09547   110.76764   164.06948
  118   115 S   HC   _H13    85     1.09499   111.05909    45.32544
  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  15  11   4  18   6   8   8   6   3   6   4
   2   1   1   2   9   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    52    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    52    55    56   109    41    42    44  
   38    39    45    52    55    41  
   36    37  
   37  
    0  
   39    40    43    45    52    55    47   101   109   110    41    42    44    48   115  
   40    43    45    46    52    47    53   109    41    42    44  
   43    45    47    41  
   42    44    48    49    50    51   115   116   117   118    43    52    98   101   102   103   109   110  
   44    48   115   101   109   110  
   45    46    52    55    47    53    54    57  
   48    49    50    51   115   101   109   110  
   46    52    55    56    47    53  
   52    55    47  
   53    54    57    58    60    52  
   49    50    51   109  
   50    51  
   51  
    0  
   55    56  
   54    57    58    59    64    60    61    62    63  
   57    58    60  
   56  
    0  
   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   0.107500   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.393000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.401700   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.056700   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    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    52   317.000  1.510
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    43   320.000  1.464
   43    45   320.000  1.464
   43    47   500.000  1.261
   45    46   340.000  1.080
   45    52   549.000  1.340
   52    55   510.000  1.338
   55    56   553.000  0.945
   47    53   415.000  1.368
   53    54   570.000  1.229
   53    57   410.000  1.444
   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    41   268.000  1.529
  109   115   268.000  1.529
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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
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    52    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    52    45    70.00000  124.00000
   33    52    55    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    60.00000  120.31500
   38    41   109    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    44    85.00000  110.90400
   39    43    45    65.00000  123.36000
   39    43    47    70.00000  121.86000
   43    39    40    65.00000  137.10300
   43    45    46    40.00000  114.85300
   43    45    52    60.00000  120.31500
   43    47    53    80.00000  110.69000
   45    52    55    80.00000  121.38400
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  110.12100
   52    45    46    35.00000  120.00000
   52    55    56    70.00000  107.45700
   47    43    45    70.00000  121.86000
   47    53    54    80.00000  126.08800
   47    53    57    75.00000  112.93000
   53    57    58    70.00000  118.70000
   53    57    60    70.00000  119.70000
   57    53    54    80.00000  125.30000
   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    41    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    41    42    37.50000  110.70000
  109    41    44    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
   41    38    39    70.00000  124.00000
   41   109   110    37.50000  110.70000
   41    44    48    60.00000  109.50000
   44    41    42    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
  115   109   110    37.50000  110.70000
  115   109    41    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
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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  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
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    45    43    47  10.50000 -1.0 2.0
   43    46    45    52   1.10000 -1.0 2.0
   33    55    52    45   1.10000 -1.0 2.0
   47    57    53    54  10.50000 -1.0 2.0
   53    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
