COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.377  -0.632   0.048  1.00  0.00           C  
HETATM    2  C   UNL     1       6.006  -0.942  -1.170  1.00  0.00           C  
HETATM    3  C   UNL     1       5.364  -0.702  -2.351  1.00  0.00           C  
HETATM    4  C   UNL     1       4.088  -0.152  -2.388  1.00  0.00           C  
HETATM    5  C   UNL     1       3.433   0.168  -1.208  1.00  0.00           C  
HETATM    6  C   UNL     1       4.082  -0.073   0.024  1.00  0.00           C  
HETATM    7  C   UNL     1       3.425   0.255   1.232  1.00  0.00           C  
HETATM    8  C   UNL     1       4.072   0.019   2.436  1.00  0.00           C  
HETATM    9  C   UNL     1       5.348  -0.533   2.446  1.00  0.00           C  
HETATM   10  C   UNL     1       5.998  -0.854   1.289  1.00  0.00           C  
HETATM   11  C   UNL     1       2.084   0.752  -1.193  1.00  0.00           C  
HETATM   12  N   UNL     1       1.484   1.048  -0.024  1.00  0.00           N  
HETATM   13  C   UNL     1       2.076   0.836   1.166  1.00  0.00           C  
HETATM   14  O   UNL     1       1.492   1.126   2.193  1.00  0.00           O  
HETATM   15  O   UNL     1       1.507   0.968  -2.241  1.00  0.00           O  
HETATM   16  C   UNL     1       0.139   1.629  -0.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.901   0.507  -0.016  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.285   1.104  -0.042  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.463   0.395  -0.029  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.486   1.273  -0.060  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.953   2.513  -0.091  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.559   2.369  -0.074  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.580  -1.000   0.009  1.00  0.00           C  
HETATM   24  S   UNL     1      -6.154   0.886  -0.059  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.164  -1.763  -1.074  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.281  -3.139  -1.033  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.812  -3.757   0.084  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.227  -3.000   1.164  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.108  -1.624   1.132  1.00  0.00           C  
HETATM   30  H   UNL     1       6.998  -1.370  -1.172  1.00  0.00           H  
HETATM   31  H   UNL     1       5.860  -0.945  -3.279  1.00  0.00           H  
HETATM   32  H   UNL     1       3.606   0.027  -3.338  1.00  0.00           H  
HETATM   33  H   UNL     1       3.583   0.264   3.367  1.00  0.00           H  
HETATM   34  H   UNL     1       5.838  -0.710   3.392  1.00  0.00           H  
HETATM   35  H   UNL     1       6.989  -1.281   1.328  1.00  0.00           H  
HETATM   36  H   UNL     1       0.005   2.274   0.819  1.00  0.00           H  
HETATM   37  H   UNL     1       0.013   2.214  -0.960  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.768  -0.138  -0.884  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.775  -0.078   0.895  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.445   3.349  -0.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.750  -1.282  -1.947  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.958  -3.733  -1.875  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.903  -4.832   0.114  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.642  -3.485   2.036  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.428  -1.033   1.978  1.00  0.00           H  
CONECT    1    2    2    6   10                                       
CONECT    2    3    1    1   30                                       
CONECT    3    4    4    2   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4   11    6    6                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9   33                                       
CONECT    9   10   10    8   34                                       
CONECT   10    1    9    9   35                                       
CONECT   11    5   15   15   12                                       
CONECT   12   11   16   13                                            
CONECT   13   12    7   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   11   11                                                 
CONECT   16   12   17   36   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   17   22   22   19                                       
CONECT   19   18   23   20                                            
CONECT   20   21   19   24   24                                       
CONECT   21   22   20   40                                            
CONECT   22   18   18   21                                            
CONECT   23   19   29   29   25                                       
CONECT   24   20   20                                                 
CONECT   25   23   26   26   41                                       
CONECT   26   25   25   27   42                                       
CONECT   27   28   28   26   43                                       
CONECT   28   29   27   27   44                                       
CONECT   29   23   23   28   45                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
