COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.311   1.073   0.240  1.00  0.00           C  
HETATM    2  C   UNL     1       1.329   0.000  -0.154  1.00  0.00           C  
HETATM    3  C   UNL     1       3.759  -0.077  -0.310  1.00  0.00           C  
HETATM    4  C   UNL     1       6.121  -0.262  -0.600  1.00  0.00           C  
HETATM    5  C   UNL     1       6.607   0.724  -1.685  1.00  0.00           C  
HETATM    6  C   UNL     1       8.393   0.567  -0.235  1.00  0.00           C  
HETATM    7  C   UNL     1       8.372   0.829   2.103  1.00  0.00           C  
HETATM    8  C   UNL     1       0.939  -1.332   0.490  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.641  -0.668   0.038  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.493  -1.318   0.451  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.379  -0.588   0.821  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.413   0.794   0.776  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.560   1.444   0.363  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.674   0.714  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.067   2.964  -0.972  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.055   0.721  -0.352  1.00  0.00           C  
HETATM   17  C   UNL     1       7.331  -0.410   0.343  1.00  0.00           C  
HETATM   18  C   UNL     1       6.994   0.243   1.707  1.00  0.00           C  
HETATM   19  C   UNL     1       1.869  -2.415   0.006  1.00  0.00           C  
HETATM   20  C   UNL     1       3.035  -2.686   0.697  1.00  0.00           C  
HETATM   21  C   UNL     1       3.887  -3.679   0.253  1.00  0.00           C  
HETATM   22  C   UNL     1       3.574  -4.402  -0.883  1.00  0.00           C  
HETATM   23  C   UNL     1       2.408  -4.131  -1.575  1.00  0.00           C  
HETATM   24  C   UNL     1       1.553  -3.141  -1.127  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.679  -1.809   0.870  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.546   2.513  -2.354  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.986   2.006  -2.253  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.853  -1.464  -0.371  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.489   3.695  -3.324  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.000   1.806  -0.077  1.00  0.00           N  
HETATM   31  N   UNL     1       2.661   0.396   0.311  1.00  0.00           N  
HETATM   32  O   UNL     1      -3.445   3.049   1.491  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.305   0.946   2.216  1.00  0.00           O  
HETATM   34  O   UNL     1       0.212   1.136   1.664  1.00  0.00           O  
HETATM   35  O   UNL     1       3.645  -0.833  -1.255  1.00  0.00           O  
HETATM   36  O   UNL     1       4.983   0.287   0.117  1.00  0.00           O  
HETATM   37  O   UNL     1       7.640   1.498  -1.043  1.00  0.00           O  
HETATM   38  O   UNL     1       8.970   1.267   0.874  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.436  -2.670  -1.015  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.886  -2.462   0.472  1.00  0.00           O  
HETATM   41  S   UNL     1      -2.993   1.725   1.246  1.00  0.00           S  
HETATM   42  H   UNL     1       0.636   2.040  -0.145  1.00  0.00           H  
HETATM   43  H   UNL     1       1.340  -0.110  -1.238  1.00  0.00           H  
HETATM   44  H   UNL     1       5.864  -1.223  -1.044  1.00  0.00           H  
HETATM   45  H   UNL     1       7.014   0.180  -2.537  1.00  0.00           H  
HETATM   46  H   UNL     1       5.789   1.370  -2.004  1.00  0.00           H  
HETATM   47  H   UNL     1       9.149   0.043  -0.820  1.00  0.00           H  
HETATM   48  H   UNL     1       8.245   1.664   2.791  1.00  0.00           H  
HETATM   49  H   UNL     1       8.995   0.058   2.557  1.00  0.00           H  
HETATM   50  H   UNL     1       1.014  -1.248   1.574  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.085  -1.583   0.215  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.467  -2.398   0.486  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.483  -1.096   1.144  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.586   2.523   0.328  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.570   1.222  -0.330  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.077   3.413  -1.060  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.764   3.697  -0.567  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.961   0.586  -1.429  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.420  -0.201   0.100  1.00  0.00           H  
HETATM   60  H   UNL     1       7.687  -1.437   0.423  1.00  0.00           H  
HETATM   61  H   UNL     1       6.662  -0.504   2.429  1.00  0.00           H  
HETATM   62  H   UNL     1       6.250   1.032   1.592  1.00  0.00           H  
HETATM   63  H   UNL     1       3.280  -2.122   1.585  1.00  0.00           H  
HETATM   64  H   UNL     1       4.799  -3.890   0.793  1.00  0.00           H  
HETATM   65  H   UNL     1       4.240  -5.177  -1.231  1.00  0.00           H  
HETATM   66  H   UNL     1       2.164  -4.695  -2.463  1.00  0.00           H  
HETATM   67  H   UNL     1       0.640  -2.933  -1.665  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.103  -2.471   1.517  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.922  -0.894   1.410  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.903   1.712  -2.718  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.611   2.774  -1.798  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.361   1.776  -3.251  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.012   1.105  -1.640  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.459  -0.876  -1.059  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.463   4.057  -3.396  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.830   3.374  -4.308  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.132   4.496  -2.960  1.00  0.00           H  
HETATM   78  H   UNL     1       2.752   0.999   1.065  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.073   0.308   2.075  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.891  -3.244  -0.460  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.460  -2.710   1.210  1.00  0.00           H  
CONECT    1   34   16    2   42                                       
CONECT    2    1    8   31   43                                       
CONECT    3   31   36   35   35                                       
CONECT    4   36    5   17   44                                       
CONECT    5   37    4   45   46                                       
CONECT    6   37   38   17   47                                       
CONECT    7   38   18   48   49                                       
CONECT    8    2   19   50   51                                       
CONECT    9   28   10   10   14                                       
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   41                                       
CONECT   13   14   14   12   54                                       
CONECT   14    9   13   13   55                                       
CONECT   15   26   30   56   57                                       
CONECT   16    1   30   58   59                                       
CONECT   17    4    6   18   60                                       
CONECT   18    7   17   61   62                                       
CONECT   19    8   20   20   24                                       
CONECT   20   19   19   21   63                                       
CONECT   21   20   22   22   64                                       
CONECT   22   21   21   23   65                                       
CONECT   23   24   24   22   66                                       
CONECT   24   19   23   23   67                                       
CONECT   25   40   28   68   69                                       
CONECT   26   29   15   27   70                                       
CONECT   27   26   71   72   73                                       
CONECT   28   39   25    9   74                                       
CONECT   29   26   75   76   77                                       
CONECT   30   16   15   41                                            
CONECT   31    2    3   78                                            
CONECT   32   41   41                                                 
CONECT   33   41   41                                                 
CONECT   34    1   79                                                 
CONECT   35    3    3                                                 
CONECT   36    3    4                                                 
CONECT   37    5    6                                                 
CONECT   38    7    6                                                 
CONECT   39   28   80                                                 
CONECT   40   25   81                                                 
CONECT   41   12   30   32   32                                       
CONECT   41   33   33                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
