COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.428  -0.955   0.003  1.00  0.00           C  
HETATM    2  N   UNL     1       2.814  -2.193  -0.001  1.00  0.00           N  
HETATM    3  C   UNL     1       4.116  -2.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.865  -1.309   0.006  1.00  0.00           C  
HETATM    5  S   UNL     1       3.786   0.084   0.003  1.00  0.00           S  
HETATM    6  C   UNL     1       4.709  -3.798  -0.004  1.00  0.00           C  
HETATM    7  N   UNL     1       1.106  -0.535   0.002  1.00  0.00           N  
HETATM    8  C   UNL     1       0.808   0.827   0.001  1.00  0.00           C  
HETATM    9  N   UNL     1       1.790   1.714  -0.004  1.00  0.00           N  
HETATM   10  C   UNL     1       1.551   3.012  -0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       0.258   3.496  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.804   2.602   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.524   1.243   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.533   0.331   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.868   0.840  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.843  -0.309  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.286  -0.840  -1.197  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.181  -1.894  -1.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.633  -2.416   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.190  -1.885   1.197  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.291  -0.835   1.197  1.00  0.00           C  
HETATM   22  C   UNL     1       0.002   4.981  -0.002  1.00  0.00           C  
HETATM   23  H   UNL     1       5.944  -1.275   0.008  1.00  0.00           H  
HETATM   24  H   UNL     1       4.854  -4.128  -1.033  1.00  0.00           H  
HETATM   25  H   UNL     1       5.669  -3.784   0.512  1.00  0.00           H  
HETATM   26  H   UNL     1       4.032  -4.484   0.506  1.00  0.00           H  
HETATM   27  H   UNL     1       0.389  -1.188   0.002  1.00  0.00           H  
HETATM   28  H   UNL     1       2.379   3.705  -0.010  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.824   2.956   0.008  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.025   1.450   0.888  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.024   1.449  -0.892  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.932  -0.433  -2.133  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.527  -2.309  -2.132  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.333  -3.239   0.001  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.544  -2.293   2.133  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.942  -0.422   2.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.063   5.338  -1.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.934   5.189   0.515  1.00  0.00           H  
HETATM   39  H   UNL     1       0.820   5.491   0.508  1.00  0.00           H  
CONECT    1    2    2    7    5                                       
CONECT    2    3    1    1                                            
CONECT    3    6    2    4    4                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    1                                                 
CONECT    6    3   24   25   26                                       
CONECT    7    1    8   27                                            
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   28                                       
CONECT   11   12   12   10   22                                       
CONECT   12   13   11   11   29                                       
CONECT   13   14    8    8   12                                       
CONECT   14   15   13                                                 
CONECT   15   14   16   30   31                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   18   16   32                                       
CONECT   18   17   17   19   33                                       
CONECT   19   18   20   20   34                                       
CONECT   20   19   19   21   35                                       
CONECT   21   16   16   20   36                                       
CONECT   22   11   37   38   39                                       
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
