COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       0.894  -1.732  -0.075  1.00  0.00           O  
HETATM    2  C   UNL     1       0.845  -0.518  -0.028  1.00  0.00           C  
HETATM    3  N   UNL     1       1.985   0.202   0.012  1.00  0.00           N  
HETATM    4  C   UNL     1       3.282  -0.479  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       4.404   0.560   0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       5.738  -0.140   0.033  1.00  0.00           C  
HETATM    7  C   UNL     1       6.361  -0.414  -1.170  1.00  0.00           C  
HETATM    8  C   UNL     1       7.585  -1.056  -1.185  1.00  0.00           C  
HETATM    9  C   UNL     1       8.186  -1.425   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       7.563  -1.150   1.208  1.00  0.00           C  
HETATM   11  C   UNL     1       6.341  -0.504   1.222  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.460   0.168  -0.019  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.531   1.564   0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.656  -0.570  -0.071  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.826   0.052  -0.063  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.913   1.366  -0.007  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.780   2.159   0.042  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.927   3.913   0.111  1.00  0.00           S  
HETATM   19  O   UNL     1      -3.214   4.187   0.648  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.724   4.394   0.693  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.945   4.466  -1.450  1.00  0.00           N  
HETATM   22  S   UNL     1      -1.598  -2.329  -0.148  1.00  0.00           S  
HETATM   23  C   UNL     1      -3.318  -2.697  -0.036  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.065  -2.892  -1.191  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.412  -3.181  -1.100  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.018  -3.274   0.140  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.278  -3.080   1.292  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.929  -2.797   1.208  1.00  0.00           C  
HETATM   29  H   UNL     1       1.945   1.170   0.050  1.00  0.00           H  
HETATM   30  H   UNL     1       3.356  -1.138   0.862  1.00  0.00           H  
HETATM   31  H   UNL     1       3.373  -1.067  -0.917  1.00  0.00           H  
HETATM   32  H   UNL     1       4.329   1.219  -0.817  1.00  0.00           H  
HETATM   33  H   UNL     1       4.312   1.148   0.962  1.00  0.00           H  
HETATM   34  H   UNL     1       5.891  -0.126  -2.099  1.00  0.00           H  
HETATM   35  H   UNL     1       8.071  -1.271  -2.125  1.00  0.00           H  
HETATM   36  H   UNL     1       9.142  -1.927  -0.007  1.00  0.00           H  
HETATM   37  H   UNL     1       8.033  -1.439   2.137  1.00  0.00           H  
HETATM   38  H   UNL     1       5.857  -0.286   2.162  1.00  0.00           H  
HETATM   39  H   UNL     1       0.367   2.163   0.074  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.887   1.832  -0.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.880   3.839  -2.187  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.021   5.416  -1.627  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.592  -2.819  -2.159  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.993  -3.333  -1.997  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.073  -3.499   0.209  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.755  -3.154   2.258  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.351  -2.649   2.108  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11   11   37                                       
CONECT   11    6   10   10   38                                       
CONECT   12    2   13   13   14                                       
CONECT   13   12   12   17   39                                       
CONECT   14   12   15   15   22                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   40                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   41   42                                            
CONECT   22   14   23                                                 
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   43                                       
CONECT   25   24   26   26   44                                       
CONECT   26   25   25   27   45                                       
CONECT   27   26   28   28   46                                       
CONECT   28   23   27   27   47                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
