* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    214    306     616
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059    48.65554    99.47271
    3     1 S   H    _H1_     3     1.02096    63.78432  -105.13035
    4     1 S   H    _H2_     4     1.02098   105.79227    -1.76392
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C24    36     1.83078    97.95995  -178.15517
   34    33 S   HC   _H9_    37     1.10204   110.00589   178.98529
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C19    38     1.51448   109.97964   -59.95851
   39    38 S   CM   _C20    39     1.35186   121.63891   119.66335
   40    38 S   N    _N4_    74     1.38842   113.24753   -65.15761
   41    40 S   H    _H20    75     1.01300   115.50045   -27.55683
   42    39 S   CM   _C21    40     1.46298   122.38540    -1.88076
   43    39 S   OH   _O36   118     1.37697   123.69939   172.91335
   44    43 S   HO   _H25   119     0.96238   109.75487     4.77906
   45    42 S   CM   _C22    41     1.34364   120.55828     1.20853
   46    45 S   HC   _H21    42     1.09247   121.87804  -176.74135
   47    42 S   CT   _C25    45     1.52773   121.57436  -178.68300
   48    47 S   HC   _H10    46     1.13766   109.30518   153.97297
   49    33 S   CO4  _C23    43     1.51935   106.82852    64.81415
   50    49 S   O    _O34    44     1.23160   121.91239    61.52409
   51    47 S   CT   _C5_    47     1.55974   116.94392   -87.27010
   52    51 S   HC   _H3_    48     1.08548   108.74259  -176.70758
   53    47 S   OS   _O35   113     1.42985   110.73181    40.30778
   54    51 S   CT   _C6_    49     1.55351   114.43685    64.34393
   55    54 S   HC   _H14    50     1.07693   107.99031   -73.89924
   56    54 S   HC   _H15    51     1.07980   107.76455    43.35276
   57    51 S   CT   _C4_   109     1.53579   111.03039   -62.28619
   58    57 S   HC   _H11   110     1.08497   109.37756    62.95541
   59    57 S   HC   _H12   111     1.08560   109.30656   -57.06293
   60    57 S   HC   _H13   112     1.08591   109.37378  -176.99965
   61    53 S   CT   _C26   114     1.41586   111.12787    79.98366
   62    61 S   HC   _H22   115     1.09328   109.55377   180.00000
   63    61 S   HC   _H23   116     1.09372   109.52158    59.22184
   64    61 S   HC   _H24   117     1.09296   109.03372   -60.39457
   65    54 S   CT   _C7_    52     1.53739   113.29211   164.20488
   66    65 S   HC   _H4_    53     1.09861   109.72598    52.34922
   67    65 S   CT   _C8_    54     1.54404   115.86789   177.04441
   68    67 S   HC   _H5_    55     1.12787   106.35275   163.92157
   69    65 S   OS   _O41   104     1.43675   106.66949   -63.64949
   70    67 S   CT   _C9_    56     1.55353   118.75368   -78.15666
   71    70 S   HC   _H6_    57     1.05527   107.82798  -152.81296
   72    67 S   OS   _O40    99     1.42930   110.79878    49.82792
   73    69 S   CT   _C33   105     1.42214   111.64692   159.97136
   74    73 S   HC   _H43   106     1.09251   109.53368   179.96574
   75    73 S   HC   _H44   107     1.09290   109.47359    59.21275
   76    73 S   HC   _H45   108     1.09209   108.95123   -60.36016
   77    70 S   CM   _C10    58     1.51922   116.13104    90.28887
   78    77 S   HC   _H16    59     1.03896   113.01432   -49.32533
   79    70 S   CT   _C31    95     1.52939   113.10237   -37.76492
   80    79 S   HC   _H37    96     1.08745   109.60905    62.95902
   81    79 S   HC   _H38    97     1.08763   109.55885   -57.01892
   82    79 S   HC   _H39    98     1.08686   109.62326  -177.00226
   83    72 S   CT   _C32   100     1.41673   111.13014   147.16456
   84    83 S   HC   _H40   101     1.09261   109.50145  -180.00000
   85    83 S   HC   _H41   102     1.09222   109.56128    59.18027
   86    83 S   HC   _H42   103     1.09238   108.99086   -60.47433
   87    77 S   CM   _C11    60     1.35274   126.03378   127.82288
   88    87 S   CT   _C12    61     1.52681   120.81758   179.52071
   89    88 S   HC   _H7_    62     1.08482   105.97599    -9.99167
   90    87 S   CT   _C30    91     1.51108   122.58093     1.13626
   91    90 S   HC   _H34    92     1.08471   109.12307    90.00684
   92    90 S   HC   _H35    93     1.08589   109.11395   -30.20108
   93    90 S   HC   _H36    94     1.08528   109.09153  -149.77810
   94    88 S   CT   _C13    63     1.54630   113.39281   109.32563
   95    94 S   HC   _H8_    64     1.10866   110.96658   -54.93586
   96    88 S   OS   _O38    85     1.42877   108.62253  -127.25003
   97    94 S   CM   _C14    65     1.51271   114.00432  -176.99124
   98    97 S   HC   _H17    66     1.09925   115.91174   -97.74066
   99    94 S   OS   _O37    80     1.43054   110.82245    61.90339
  100    96 S   CO4  _C29    86     1.36376   115.63408    85.16683
  101   100 S   O    _O39    87     1.22668   125.37928    -0.00000
  102    97 S   CM   _C15    67     1.34286   127.51766    80.87886
  103   102 S   HC   _H18    68     1.09161   117.22161   177.99328
  104    99 S   CT   _C28    81     1.41733   111.19720  -155.01899
  105   104 S   HC   _H29    82     1.09305   109.49784   179.97202
  106   104 S   HC   _H30    83     1.09305   109.58565    59.22528
  107   104 S   HC   _H31    84     1.09282   109.04137   -60.44415
  108   100 S   N    _N5_    88     1.37250   110.30131   179.96574
  109   108 S   H    _H32    89     1.01432   119.31795  -179.97202
  110   108 S   H    _H33    90     1.01478   121.41114     0.03956
  111   102 S   CM   _C16    69     1.44229   125.17845    -4.19246
  112   111 S   HC   _H19    70     1.08035   115.20457    -1.67480
  113   111 S   CM   _C17    71     1.34363   126.79844   179.43455
  114   113 S   C    _C18    72     1.48695   112.47359   175.44327
  115   114 S   O    _O33    73     1.22477   120.75916    94.09652
  116   113 S   CT   _C27    76     1.49045   130.18539    -4.08782
  117   116 S   HC   _H26    77     1.08980   109.72489    89.97432
  118   116 S   HC   _H27    78     1.08949   109.80563   -30.17627
  119   116 S   HC   _H28    79     1.08923   109.77558  -149.84956
  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
  12   6   2   1   1  13  13   9   3  14   3   1   7   3  17   6
   1   1  14   9   6  14   6   5   4   2   1   1   3   2   1   1
  14   6  17   7   6  12   8   6   3   2   1   1  14   4   4   2
   1   1   3   2   1   1  12  16   7   5   2   1   1  13   6   7
   8   4   5   4   3   6   3   3   2   1   1   2   1   1   8   3
   6   5   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    49    50    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    46    49    50   114    40    41    43  
   38    39    45    49    50    40  
   36    37  
   37  
    0  
   39    42    45    49    50    47   113   114   115    40    41    43    44  
   42    45    46    49    47    48    51   114    40    41    53    43    44  
   41   116    43    42    49   111   113   114   115  
  113   114   115  
   45    46    49    50    47    48    51    52    54    57    53    61    43    44  
   44    45    47  
    0  
   46    49    50    47    48    51    53  
   49    50    47  
   48    51    52    54    55    56    65    57    58    59    60    53    61    62    63    64    49  
   51    52    54    57    53    61  
   50  
    0  
   52    54    55    56    65    66    67    69    57    58    59    60    53    61  
   54    55    56    65    57    58    59    60    53  
   61    62    63    64    54    57  
   55    56    65    66    67    68    70    72    69    73    57    58    59    60  
   56    65    66    67    69    57  
   65    66    67    69    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    70    71    77    79    72    83    69    73    74    75    76  
   67    68    70    72    69    73  
   68    70    71    77    78    87    79    80    81    82    72    83    84    85    86    69    73  
   70    71    77    79    72    83    69  
   73    74    75    76    70    72  
   71    77    78    87    88    90    79    80    81    82    72    83  
   77    78    87    79    80    81    82    72  
   83    84    85    86    77    79  
   74    75    76  
   75    76  
   76  
    0  
   78    87    88    89    94    96    90    91    92    93    79    80    81    82  
   87    88    90    79  
   80    81    82    87  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   88    89    94    95    97    99    96   100    90    91    92    93  
   89    94    95    97    98   102    99   104    96   100   101   108    90    91    92    93  
   94    95    97    99    96   100    90  
   91    92    93    94    96  
   92    93  
   93  
    0  
   95    97    98   102   103   111    99   104   105   106   107    96   100  
   97    98   102    99   104    96  
  100   101   108   109   110    97    99  
   98   102   103   111   112   113    99   104  
  102   103   111    99  
  104   105   106   107   102  
  101   108   109   110  
  108   109   110  
  103   111   112   113   114   116  
  111   112   113  
  105   106   107  
  106   107  
  107  
    0  
  109   110  
  110  
    0  
  112   113   114   115   116   117   118   119  
  113   114   116  
  114   115   116   117   118   119  
  115   116   117   118   119  
  116  
  117   118   119  
  118   119  
  119  
    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   2.4200   0.0150   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   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   41   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   42   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  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   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
  109   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  110   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  114   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  115   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  119   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    49   317.000  1.522
   38    39   549.000  1.340
   38    40   400.000  1.384
   39    42   380.000  1.444
   39    43   510.000  1.338
   42    45   549.000  1.340
   42    47   317.000  1.510
   45    46   340.000  1.080
   45    49   320.000  1.462
   49    50   570.000  1.229
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   320.000  1.410
   70    71   340.000  1.090
   70    77   317.000  1.510
   70    79   268.000  1.529
   77    78   340.000  1.080
   77    87   549.000  1.340
   87    88   317.000  1.510
   87    90   317.000  1.510
   88    89   340.000  1.090
   88    94   268.000  1.529
   88    96   320.000  1.410
   94    95   340.000  1.090
   94    97   317.000  1.510
   94    99   320.000  1.410
   97    98   340.000  1.080
   97   102   549.000  1.340
  102   103   340.000  1.080
  102   111   380.000  1.444
  111   112   340.000  1.080
  111   113   549.000  1.340
  113   114   410.000  1.444
  113   116   317.000  1.510
  114   115   570.000  1.229
  114    40   490.000  1.335
   40    41   434.000  1.010
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
   99   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   96   100   214.000  1.327
  100   101   570.000  1.229
  100   108   435.000  1.380
  108   109   434.000  1.010
  108   110   434.000  1.010
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  113.82800
   33    49    45    65.00000  118.62400
   33    49    50    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    42    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40   114    70.00000  120.89900
   38    40    41    45.00000  117.55000
   39    42    45    70.00000  123.01800
   39    42    47    70.00000  124.00000
   39    43    44    70.00000  107.45700
   42    45    46    35.00000  120.00000
   42    45    49    65.00000  118.96000
   42    47    48    35.00000  109.50000
   42    47    51    70.00000  112.02700
   42    47    53    85.00000  110.90400
   45    49    50    80.00000  123.72100
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    45    46    40.00000  117.72500
   47    42    45    70.00000  124.00000
   47    51    52    37.50000  110.70000
   47    51    54    58.35000  112.70000
   47    51    57    58.35000  112.70000
   47    53    61    60.00000  109.50000
   51    47    48    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    65    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    58.35000  112.70000
   54    65    69    50.00000  109.50000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    70    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    69    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    77    70.00000  112.02700
   67    70    79    58.35000  112.70000
   67    72    83    60.00000  109.50000
   70    67    68    37.50000  110.70000
   70    77    78    35.00000  117.00000
   70    77    87    70.00000  124.00000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    82    37.50000  110.70000
   77    70    71    35.00000  109.50000
   77    87    88    70.00000  124.00000
   77    87    90    70.00000  124.00000
   87    77    78    35.00000  120.00000
   87    88    89    35.00000  109.50000
   87    88    94    70.00000  112.02700
   87    88    96    85.00000  110.90400
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    35.00000  109.50000
   88    94    95    37.50000  110.70000
   88    94    97    70.00000  112.02700
   88    94    99    50.00000  109.50000
   88    96   100    83.00000  116.90000
   94    88    89    37.50000  110.70000
   94    97    98    35.00000  117.00000
   94    97   102    70.00000  124.00000
   94    99   104    60.00000  109.50000
   97    94    95    35.00000  109.50000
   97   102   103    35.00000  120.00000
   97   102   111    70.00000  123.01800
  102    97    98    35.00000  120.00000
  102   111   112    35.00000  120.00000
  102   111   113    70.00000  123.01800
  111   102   103    35.00000  120.00000
  111   113   114    70.00000  118.70000
  111   113   116    70.00000  124.00000
  113   111   112    35.00000  120.00000
  113   114   115    80.00000  125.30000
  113   114    40    80.00000  111.56200
  113   116   117    35.00000  109.50000
  113   116   118    35.00000  109.50000
  113   116   119    35.00000  109.50000
  114    40    41    35.00000  119.80000
   40    38    39    75.00000  120.83300
   40   114   115    80.00000  122.90000
  116   113   114    70.00000  119.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
   99    94    95    35.00000  109.50000
   99    94    97    85.00000  110.90400
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   107    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   96    88    89    35.00000  109.50000
   96    88    94    50.00000  109.50000
   96   100   101    83.00000  123.40000
   96   100   108   110.00000  108.75700
  100   108   109    50.00000  116.34900
  100   108   110    50.00000  116.34900
  108   100   101    85.00000  125.96000
  110   108   109    35.00000  120.00000
   90    87    88    65.00000  117.92700
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    77    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    70    50.00000  109.50000
   72    83    84    35.00000  109.50000
   72    83    85    35.00000  109.50000
   72    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    51    50.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   43    39    42    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
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   96    88    94    97   0.15300  1.0 3.0
   96    88    94    99   1.11900  1.0 1.0
   96    88    94    99  -1.16350 -1.0 2.0
   96    88    94    99  -0.34150  1.0 3.0
   96   100   108   109   2.56700 -1.0 2.0
   96   100   108   110   2.56700 -1.0 2.0
  101   100   108   109   2.45000 -1.0 2.0
  101   100   108   110   2.45000 -1.0 2.0
   90    87    88    89   0.34800  1.0 3.0
   90    87    88    94   0.46850  1.0 1.0
   90    87    88    94   0.08550 -1.0 2.0
   90    87    88    94   0.09800  1.0 3.0
   90    87    88    96   0.09700  1.0 1.0
   90    87    88    96   0.15600 -1.0 2.0
   90    87    88    96  -0.50800  1.0 3.0
   79    70    77    78   0.00000  1.0 1.0
   79    70    77    87   0.09850  1.0 1.0
   79    70    77    87   0.15250 -1.0 2.0
   79    70    77    87  -0.50650  1.0 3.0
   72    67    70    71   0.23400  1.0 3.0
   72    67    70    77   0.61850  1.0 1.0
   72    67    70    77  -0.22750 -1.0 2.0
   72    67    70    77   0.15300  1.0 3.0
   72    67    70    79   0.62750  1.0 1.0
   72    67    70    79  -0.30950 -1.0 2.0
   72    67    70    79   0.27300  1.0 3.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    70   0.62750  1.0 1.0
   69    65    67    70  -0.30950 -1.0 2.0
   69    65    67    70   0.27300  1.0 3.0
   69    65    67    72   1.11900  1.0 1.0
   69    65    67    72  -1.16350 -1.0 2.0
   69    65    67    72  -0.34150  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    65   0.56750  1.0 1.0
   57    51    54    65  -0.07550 -1.0 2.0
   57    51    54    65   0.20000  1.0 3.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    54   0.62750  1.0 1.0
   53    47    51    54  -0.30950 -1.0 2.0
   53    47    51    54   0.27300  1.0 3.0
   53    47    51    57   0.62750  1.0 1.0
   53    47    51    57  -0.30950 -1.0 2.0
   53    47    51    57   0.27300  1.0 3.0
   43    39    42    45   0.50950  1.0 1.0
   43    39    42    45   0.56650 -1.0 2.0
   43    39    42    45   0.34050  1.0 3.0
   43    39    42    47   1.08500 -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    40    38    39   1.10000 -1.0 2.0
   42    43    39    38   1.10000 -1.0 2.0
   39    47    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   33    45    49    50  10.50000 -1.0 2.0
   70    78    77    87   1.10000 -1.0 2.0
   88    90    87    77   1.10000 -1.0 2.0
   94    98    97   102   1.10000 -1.0 2.0
  111   103   102    97   1.10000 -1.0 2.0
  102   112   111   113   1.10000 -1.0 2.0
  114   116   113   111   1.10000 -1.0 2.0
  113    40   114   115  10.50000 -1.0 2.0
   41   114    40    38   1.00000 -1.0 2.0
   96   108   100   101  10.50000 -1.0 2.0
  110   100   108   109   1.00000 -1.0 2.0
END
