COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.434   1.214   0.122  1.00  0.00           C  
HETATM    2  O   UNL     1       3.480   1.798   1.187  1.00  0.00           O  
HETATM    3  C   UNL     1       4.685   0.878  -0.591  1.00  0.00           C  
HETATM    4  C   UNL     1       5.919   1.234  -0.047  1.00  0.00           C  
HETATM    5  C   UNL     1       7.086   0.910  -0.717  1.00  0.00           C  
HETATM    6  C   UNL     1       7.027   0.243  -1.934  1.00  0.00           C  
HETATM    7  C   UNL     1       5.804  -0.106  -2.477  1.00  0.00           C  
HETATM    8  C   UNL     1       4.635   0.207  -1.814  1.00  0.00           C  
HETATM    9  O   UNL     1       8.291   1.249  -0.187  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.376  -0.501   0.387  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.262  -0.308  -0.763  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.455   0.556  -0.349  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.381   0.757  -1.550  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.359   0.504   0.705  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.100   0.236  -0.123  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.394   0.420  -1.510  1.00  0.00           O  
HETATM   17  C   UNL     1       1.004   1.208   0.297  1.00  0.00           C  
HETATM   18  N   UNL     1       2.243   0.874  -0.409  1.00  0.00           N  
HETATM   19  C   UNL     1       0.586   2.637  -0.053  1.00  0.00           C  
HETATM   20  C   UNL     1       2.688   3.970  -0.323  1.00  0.00           C  
HETATM   21  C   UNL     1       3.634   4.856   0.158  1.00  0.00           C  
HETATM   22  C   UNL     1       3.507   5.378   1.432  1.00  0.00           C  
HETATM   23  C   UNL     1       2.436   5.013   2.225  1.00  0.00           C  
HETATM   24  C   UNL     1       1.491   4.126   1.745  1.00  0.00           C  
HETATM   25  C   UNL     1       1.617   3.604   0.471  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.556   1.607  -1.142  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.487   2.983  -1.258  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.565   3.763  -0.884  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.712   3.168  -0.394  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.781   1.792  -0.279  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.705   1.012  -0.657  1.00  0.00           C  
HETATM   32  C   UNL     1       2.296  -5.818  -0.328  1.00  0.00           C  
HETATM   33  N   UNL     1       1.136  -5.907  -0.860  1.00  0.00           N  
HETATM   34  S   UNL     1       2.362  -4.558   0.822  1.00  0.00           S  
HETATM   35  C   UNL     1       0.189  -5.039  -0.455  1.00  0.00           C  
HETATM   36  C   UNL     1       0.674  -4.159   0.519  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.161  -3.185   1.063  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.468  -3.086   0.641  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.955  -3.956  -0.324  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.153  -4.913  -0.868  1.00  0.00           C  
HETATM   41  S   UNL     1      -2.524  -1.855   1.329  1.00  0.00           S  
HETATM   42  O   UNL     1      -3.854  -2.323   1.153  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.979  -1.522   2.599  1.00  0.00           O  
HETATM   44  H   UNL     1       5.964   1.757   0.897  1.00  0.00           H  
HETATM   45  H   UNL     1       7.938  -0.004  -2.457  1.00  0.00           H  
HETATM   46  H   UNL     1       5.764  -0.625  -3.424  1.00  0.00           H  
HETATM   47  H   UNL     1       3.682  -0.067  -2.242  1.00  0.00           H  
HETATM   48  H   UNL     1       8.607   2.122  -0.456  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.715   0.189  -1.564  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.619  -1.277  -1.113  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.003   0.059   0.452  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.098   1.524   0.001  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.833   1.254  -2.352  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.738  -0.212  -1.900  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.743   1.497   0.470  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.114   0.451   1.766  1.00  0.00           H  
HETATM   57  H   UNL     1       0.233  -0.788   0.044  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.698   1.311  -1.732  1.00  0.00           H  
HETATM   59  H   UNL     1       1.166   1.130   1.372  1.00  0.00           H  
HETATM   60  H   UNL     1       2.207   0.408  -1.259  1.00  0.00           H  
HETATM   61  H   UNL     1       0.510   2.739  -1.135  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.380   2.855   0.401  1.00  0.00           H  
HETATM   63  H   UNL     1       2.784   3.566  -1.320  1.00  0.00           H  
HETATM   64  H   UNL     1       4.471   5.141  -0.462  1.00  0.00           H  
HETATM   65  H   UNL     1       4.246   6.070   1.808  1.00  0.00           H  
HETATM   66  H   UNL     1       2.338   5.420   3.221  1.00  0.00           H  
HETATM   67  H   UNL     1       0.653   3.840   2.365  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.591   3.448  -1.641  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.511   4.838  -0.974  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.554   3.778  -0.101  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.678   1.327   0.105  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.761  -0.064  -0.571  1.00  0.00           H  
HETATM   73  H   UNL     1       3.128  -6.461  -0.572  1.00  0.00           H  
HETATM   74  H   UNL     1       0.216  -2.508   1.815  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.981  -3.872  -0.650  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.548  -5.581  -1.619  1.00  0.00           H  
CONECT    1   18    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   44                                       
CONECT    5    6    4    4    9                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8    6    6   46                                       
CONECT    8    3    3    7   47                                       
CONECT    9    5   48                                                 
CONECT   10   41   11   14                                            
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   26   53   54                                       
CONECT   14   10   15   55   56                                       
CONECT   15   14   16   17   57                                       
CONECT   16   15   58                                                 
CONECT   17   15   18   19   59                                       
CONECT   18   17    1   60                                            
CONECT   19   17   25   61   62                                       
CONECT   20   21   21   25   63                                       
CONECT   21   20   20   22   64                                       
CONECT   22   21   23   23   65                                       
CONECT   23   22   22   24   66                                       
CONECT   24   23   25   25   67                                       
CONECT   25   19   20   24   24                                       
CONECT   26   13   27   27   31                                       
CONECT   27   26   26   28   68                                       
CONECT   28   27   29   29   69                                       
CONECT   29   28   28   30   70                                       
CONECT   30   29   31   31   71                                       
CONECT   31   26   30   30   72                                       
CONECT   32   33   33   34   73                                       
CONECT   33   32   32   35                                            
CONECT   34   32   36                                                 
CONECT   35   33   36   36   40                                       
CONECT   36   34   35   35   37                                       
CONECT   37   36   38   38   74                                       
CONECT   38   37   37   39   41                                       
CONECT   39   38   40   40   75                                       
CONECT   40   35   39   39   76                                       
CONECT   41   38   42   42   43                                       
CONECT   41   43   10                                                 
CONECT   42   41   41                                                 
CONECT   43   41   41                                                 
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
