COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.071   0.645  -3.860  1.00  0.00           C  
HETATM    2  C   UNL     1       3.672   0.396  -5.082  1.00  0.00           C  
HETATM    3  C   UNL     1       2.957  -0.229  -6.086  1.00  0.00           C  
HETATM    4  C   UNL     1       1.647  -0.608  -5.877  1.00  0.00           C  
HETATM    5  C   UNL     1       1.034  -0.361  -4.649  1.00  0.00           C  
HETATM    6  C   UNL     1       1.766   0.269  -3.646  1.00  0.00           C  
HETATM    7  C   UNL     1       0.841   0.394  -2.458  1.00  0.00           C  
HETATM    8  C   UNL     1       0.625   1.866  -2.100  1.00  0.00           C  
HETATM    9  O   UNL     1       1.367  -0.318  -1.337  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.454  -0.233  -2.925  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.255  -0.644  -4.204  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.602  -0.361  -2.199  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.906  -0.844  -2.669  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.167  -1.211  -3.801  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.760  -0.812  -1.633  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.142  -0.341  -0.481  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.802  -0.050  -0.765  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.965   0.445   0.228  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.456   0.639   1.503  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.779   0.347   1.789  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.620  -0.139   0.809  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.399   1.260   2.768  1.00  0.00           S  
HETATM   23  O   UNL     1       0.651   1.939   2.094  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.259   1.836   3.742  1.00  0.00           O  
HETATM   25  N   UNL     1       0.307  -0.042   3.507  1.00  0.00           N  
HETATM   26  C   UNL     1       1.583  -0.580   3.016  1.00  0.00           C  
HETATM   27  C   UNL     1       2.574  -0.641   4.182  1.00  0.00           C  
HETATM   28  C   UNL     1       1.955  -1.441   5.331  1.00  0.00           C  
HETATM   29  O   UNL     1       2.889  -1.528   6.409  1.00  0.00           O  
HETATM   30  C   UNL     1       0.682  -0.742   5.814  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.326  -0.678   4.669  1.00  0.00           C  
HETATM   32  H   UNL     1       3.627   1.134  -3.074  1.00  0.00           H  
HETATM   33  H   UNL     1       4.697   0.691  -5.250  1.00  0.00           H  
HETATM   34  H   UNL     1       3.426  -0.423  -7.039  1.00  0.00           H  
HETATM   35  H   UNL     1       1.095  -1.097  -6.666  1.00  0.00           H  
HETATM   36  H   UNL     1       1.549   2.282  -1.698  1.00  0.00           H  
HETATM   37  H   UNL     1       0.337   2.419  -2.995  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.164   1.947  -1.354  1.00  0.00           H  
HETATM   39  H   UNL     1       2.204   0.106  -1.103  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.931  -1.083  -4.744  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.691  -1.082  -1.682  1.00  0.00           H  
HETATM   42  H   UNL     1       0.066   0.673   0.004  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.157   0.501   2.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.650  -0.363   1.044  1.00  0.00           H  
HETATM   45  H   UNL     1       1.428  -1.581   2.615  1.00  0.00           H  
HETATM   46  H   UNL     1       1.977   0.070   2.235  1.00  0.00           H  
HETATM   47  H   UNL     1       3.493  -1.127   3.854  1.00  0.00           H  
HETATM   48  H   UNL     1       2.798   0.369   4.523  1.00  0.00           H  
HETATM   49  H   UNL     1       1.708  -2.444   4.983  1.00  0.00           H  
HETATM   50  H   UNL     1       2.461  -2.038   7.109  1.00  0.00           H  
HETATM   51  H   UNL     1       0.255  -1.300   6.647  1.00  0.00           H  
HETATM   52  H   UNL     1       0.924   0.269   6.139  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.194  -0.095   4.979  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.639  -1.688   4.401  1.00  0.00           H  
CONECT    1    2    2    6   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   36   37   38                                       
CONECT    9    7   39                                                 
CONECT   10    7   11   12   12                                       
CONECT   11    5   10   40                                            
CONECT   12   10   10   13   17                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   41                                            
CONECT   16   15   17   17   21                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   43                                       
CONECT   21   16   20   20   44                                       
CONECT   22   19   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   31                                            
CONECT   26   25   27   45   46                                       
CONECT   27   26   28   47   48                                       
CONECT   28   27   29   30   49                                       
CONECT   29   28   50                                                 
CONECT   30   28   31   51   52                                       
CONECT   31   25   30   53   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
