COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       8.886   3.908  -0.461  1.00  0.00           C  
HETATM    2  C   UNK A   0       1.666  -1.348  -1.342  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.493  -2.711  -1.189  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.633  -1.714  -3.501  1.00  0.00           C  
HETATM    5  C   UNK A   0       2.236  -0.850  -2.499  1.00  0.00           C  
HETATM    6  C   UNK A   0       0.182  -1.804   1.449  1.00  0.00           C  
HETATM    7  C   UNK A   1      -2.090  -2.619   1.118  1.00  0.00           C  
HETATM    8  C   UNK A   1      -1.905  -4.113   1.033  1.00  0.00           C  
HETATM    9  C   UNK A   1      -5.126  -0.203  -0.483  1.00  0.00           C  
HETATM   10  C   UNK A   1      -5.497   1.281  -0.503  1.00  0.00           C  
HETATM   11  C   UNK A   1      -4.800   3.547  -1.291  1.00  0.00           C  
HETATM   12  C   UNK A   1      -4.883   4.072   0.143  1.00  0.00           C  
HETATM   13  C   UNK A   1      -7.306   3.467   0.224  1.00  0.00           C  
HETATM   14  C   UNK A   1      -6.852   1.459  -1.190  1.00  0.00           C  
HETATM   15  O   UNK A   0       0.171  -2.305   2.556  1.00  0.00           O  
HETATM   16  N   UNK A   1      -0.882  -1.949   0.633  1.00  0.00           N  
HETATM   17  C   UNK A   1      -3.284  -2.204   0.256  1.00  0.00           C  
HETATM   18  S   UNK A   1      -3.608  -0.434   0.483  1.00  0.00           S  
HETATM   19  O   UNK A   1      -2.561   0.301  -0.136  1.00  0.00           O  
HETATM   20  O   UNK A   1      -3.903  -0.200   1.854  1.00  0.00           O  
HETATM   21  C   UNK A   1      -7.223   2.943  -1.211  1.00  0.00           C  
HETATM   22  C   UNK A   1      -5.950   3.290   0.911  1.00  0.00           C  
HETATM   23  C   UNK A   1      -5.580   1.806   0.932  1.00  0.00           C  
HETATM   24  C   UNK A   1      -6.155   3.725  -1.979  1.00  0.00           C  
HETATM   25  C   UNK A   1      -4.429   2.063  -1.271  1.00  0.00           C  
HETATM   26  O   UNK A   1      -2.890  -4.935   1.427  1.00  0.00           O  
HETATM   27  O   UNK A   1      -0.869  -4.570   0.611  1.00  0.00           O  
HETATM   28  N   UNK A   0       1.256  -1.102   1.037  1.00  0.00           N  
HETATM   29  C   UNK A   0       1.226  -0.405  -0.252  1.00  0.00           C  
HETATM   30  C   UNK A   0       2.461  -3.077  -3.348  1.00  0.00           C  
HETATM   31  C   UNK A   0       2.893  -4.019  -4.442  1.00  0.00           C  
HETATM   32  C   UNK A   0       1.891  -3.576  -2.191  1.00  0.00           C  
HETATM   33  C   UNK A   0       2.358  -1.040   1.811  1.00  0.00           C  
HETATM   34  O   UNK A   0       2.419  -1.693   2.834  1.00  0.00           O  
HETATM   35  C   UNK A   0       3.490  -0.179   1.415  1.00  0.00           C  
HETATM   36  C   UNK A   0       3.974  -0.218   0.105  1.00  0.00           C  
HETATM   37  C   UNK A   0       5.030   0.585  -0.262  1.00  0.00           C  
HETATM   38  C   UNK A   0       5.617   1.438   0.673  1.00  0.00           C  
HETATM   39  C   UNK A   0       5.135   1.478   1.982  1.00  0.00           C  
HETATM   40  C   UNK A   0       4.075   0.680   2.350  1.00  0.00           C  
HETATM   41  C   UNK A   0       6.754   2.303   0.276  1.00  0.00           C  
HETATM   42  C   UNK A   0       7.343   3.156   1.208  1.00  0.00           C  
HETATM   43  C   UNK A   0       8.401   3.958   0.833  1.00  0.00           C  
HETATM   44  C   UNK A   0       8.309   3.059  -1.389  1.00  0.00           C  
HETATM   45  C   UNK A   0       7.247   2.256  -1.027  1.00  0.00           C  
HETATM   46  H   UNK A   0       9.714   4.538  -0.750  1.00  0.00           H  
HETATM   47  H   UNK A   0       1.048  -3.101  -0.285  1.00  0.00           H  
HETATM   48  H   UNK A   0       3.079  -1.325  -4.405  1.00  0.00           H  
HETATM   49  H   UNK A   0       2.370   0.215  -2.619  1.00  0.00           H  
HETATM   50  H   UNK A   1      -2.273  -2.334   2.154  1.00  0.00           H  
HETATM   51  H   UNK A   1      -5.936  -0.774  -0.029  1.00  0.00           H  
HETATM   52  H   UNK A   1      -4.964  -0.551  -1.503  1.00  0.00           H  
HETATM   53  H   UNK A   1      -4.040   4.104  -1.839  1.00  0.00           H  
HETATM   54  H   UNK A   1      -3.917   3.945   0.633  1.00  0.00           H  
HETATM   55  H   UNK A   1      -5.147   5.129   0.129  1.00  0.00           H  
HETATM   56  H   UNK A   1      -7.570   4.525   0.210  1.00  0.00           H  
HETATM   57  H   UNK A   1      -8.066   2.910   0.771  1.00  0.00           H  
HETATM   58  H   UNK A   1      -6.793   1.085  -2.212  1.00  0.00           H  
HETATM   59  H   UNK A   1      -7.613   0.901  -0.643  1.00  0.00           H  
HETATM   60  H   UNK A   1      -0.846  -1.609  -0.275  1.00  0.00           H  
HETATM   61  H   UNK A   1      -3.062  -2.401  -0.793  1.00  0.00           H  
HETATM   62  H   UNK A   1      -4.164  -2.776   0.554  1.00  0.00           H  
HETATM   63  H   UNK A   1      -8.189   3.069  -1.700  1.00  0.00           H  
HETATM   64  H   UNK A   1      -6.010   3.664   1.934  1.00  0.00           H  
HETATM   65  H   UNK A   1      -6.340   1.249   1.479  1.00  0.00           H  
HETATM   66  H   UNK A   1      -4.614   1.679   1.421  1.00  0.00           H  
HETATM   67  H   UNK A   1      -6.420   4.782  -1.993  1.00  0.00           H  
HETATM   68  H   UNK A   1      -6.096   3.351  -3.001  1.00  0.00           H  
HETATM   69  H   UNK A   1      -3.464   1.936  -0.782  1.00  0.00           H  
HETATM   70  H   UNK A   1      -4.370   1.689  -2.293  1.00  0.00           H  
HETATM   71  H   UNK A   1      -2.725  -5.885   1.354  1.00  0.00           H  
HETATM   72  H   UNK A   0       1.900   0.451  -0.218  1.00  0.00           H  
HETATM   73  H   UNK A   0       0.212  -0.062  -0.456  1.00  0.00           H  
HETATM   74  H   UNK A   0       3.929  -4.316  -4.277  1.00  0.00           H  
HETATM   75  H   UNK A   0       2.256  -4.904  -4.432  1.00  0.00           H  
HETATM   76  H   UNK A   0       2.807  -3.520  -5.406  1.00  0.00           H  
HETATM   77  H   UNK A   0       1.758  -4.641  -2.071  1.00  0.00           H  
HETATM   78  H   UNK A   0       3.520  -0.878  -0.619  1.00  0.00           H  
HETATM   79  H   UNK A   0       5.405   0.555  -1.275  1.00  0.00           H  
HETATM   80  H   UNK A   0       5.590   2.138   2.705  1.00  0.00           H  
HETATM   81  H   UNK A   0       3.699   0.714   3.362  1.00  0.00           H  
HETATM   82  H   UNK A   0       6.971   3.190   2.222  1.00  0.00           H  
HETATM   83  H   UNK A   0       8.852   4.626   1.552  1.00  0.00           H  
HETATM   84  H   UNK A   0       8.691   3.024  -2.398  1.00  0.00           H  
HETATM   85  H   UNK A   0       6.795   1.597  -1.753  1.00  0.00           H  
CONECT    1   44   44   43   46                                       
CONECT    2   29    3    3    5                                       
CONECT    3    2    2   32   47                                       
CONECT    4    5    5   30   48                                       
CONECT    5    2    4    4   49                                       
CONECT    6   15   15   16   28                                       
CONECT    7    8   17   16   50                                       
CONECT    8   27   27   26    7                                       
CONECT    9   18   10   51   52                                       
CONECT   10    9   23   14   25                                       
CONECT   11   25   12   24   53                                       
CONECT   12   22   11   54   55                                       
CONECT   13   22   21   56   57                                       
CONECT   14   10   21   58   59                                       
CONECT   15    6    6                                                 
CONECT   16    7    6   60                                            
CONECT   17    7   18   61   62                                       
CONECT   18   17    9   19   19                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   14   13   24   63                                       
CONECT   22   23   13   12   64                                       
CONECT   23   10   22   65   66                                       
CONECT   24   21   11   67   68                                       
CONECT   25   10   11   69   70                                       
CONECT   26    8   71                                                 
CONECT   27    8    8                                                 
CONECT   28    6   33   29                                            
CONECT   29   28    2   72   73                                       
CONECT   30   32   32    4   31                                       
CONECT   31   30   74   75   76                                       
CONECT   32    3   30   30   77                                       
CONECT   33   28   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   40   40                                       
CONECT   36   37   37   35   78                                       
CONECT   37   36   36   38   79                                       
CONECT   38   37   41   39   39                                       
CONECT   39   38   38   40   80                                       
CONECT   40   35   35   39   81                                       
CONECT   41   38   45   45   42                                       
CONECT   42   41   43   43   82                                       
CONECT   43   42   42    1   83                                       
CONECT   44   45    1    1   84                                       
CONECT   45   41   41   44   85                                       
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
