COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.006   1.962   0.041  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.125   1.115   0.064  1.00  0.00           C  
HETATM    3  C   UNL     1       4.166   1.145   1.168  1.00  0.00           C  
HETATM    4  C   UNL     1       5.337  -0.204  -0.883  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.862  -1.058   0.085  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.918  -0.287   0.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.270   1.939   0.080  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.881   3.183   0.068  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.482   3.236   0.043  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.670   4.456   0.024  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.776   1.430   0.016  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.598   0.128   0.014  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.648  -0.747   0.045  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.405  -2.127   0.041  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.262  -2.812   1.241  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.023  -4.172   1.234  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.926  -4.852   0.034  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.068  -4.173  -1.162  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.314  -2.814  -1.162  1.00  0.00           C  
HETATM   20  S   UNL     1       1.044  -0.509  -0.018  1.00  0.00           S  
HETATM   21  C   UNL     1       1.982   1.039  -0.038  1.00  0.00           C  
HETATM   22  C   UNL     1       1.698   1.790  -1.341  1.00  0.00           C  
HETATM   23  C   UNL     1       3.455   0.736   0.056  1.00  0.00           C  
HETATM   24  N   UNL     1       4.050   0.083  -0.923  1.00  0.00           N  
HETATM   25  C   UNL     1       6.115   0.183   0.192  1.00  0.00           C  
HETATM   26  C   UNL     1       5.523   0.867   1.243  1.00  0.00           C  
HETATM   27  H   UNL     1       3.673   1.680   1.966  1.00  0.00           H  
HETATM   28  H   UNL     1       5.789  -0.740  -1.704  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.294   1.597   0.099  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.486   4.754  -1.008  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.201   5.254   0.544  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.719   4.267   0.523  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.336  -2.281   2.178  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.911  -4.705   2.167  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.739  -5.916   0.031  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.992  -4.707  -2.098  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.430  -2.285  -2.096  1.00  0.00           H  
HETATM   38  H   UNL     1       1.683   1.656   0.809  1.00  0.00           H  
HETATM   39  H   UNL     1       0.633   2.009  -1.410  1.00  0.00           H  
HETATM   40  H   UNL     1       2.263   2.722  -1.353  1.00  0.00           H  
HETATM   41  H   UNL     1       1.997   1.173  -2.188  1.00  0.00           H  
HETATM   42  H   UNL     1       7.168  -0.055   0.219  1.00  0.00           H  
HETATM   43  H   UNL     1       6.106   1.181   2.096  1.00  0.00           H  
CONECT    1   11    9    2    2                                       
CONECT    2    1    1    7    6                                       
CONECT    3   26   23   23   27                                       
CONECT    4   25   24   24   28                                       
CONECT    5    6    6                                                 
CONECT    6    2   13    5    5                                       
CONECT    7    8    8    2   29                                       
CONECT    8    9    7    7                                            
CONECT    9   10    1    8                                            
CONECT   10    9   30   31   32                                       
CONECT   11    1   12   12                                            
CONECT   12   20   11   11   13                                       
CONECT   13   12    6   14                                            
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   33                                       
CONECT   16   15   15   17   34                                       
CONECT   17   18   18   16   35                                       
CONECT   18   19   17   17   36                                       
CONECT   19   14   14   18   37                                       
CONECT   20   21   12                                                 
CONECT   21   23   22   20   38                                       
CONECT   22   21   39   40   41                                       
CONECT   23    3    3   24   21                                       
CONECT   24    4    4   23                                            
CONECT   25   26   26    4   42                                       
CONECT   26   25   25    3   43                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
