COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      13.770   7.511  11.522  1.00  0.00           N  
HETATM    2  C   UNL     1      13.119   6.301  11.833  1.00  0.00           C  
HETATM    3  N   UNL     1      13.987   5.359  12.237  1.00  0.00           N  
HETATM    4  C   UNL     1      13.483   4.158  12.542  1.00  0.00           C  
HETATM    5  C   UNL     1      12.148   3.886  12.454  1.00  0.00           C  
HETATM    6  C   UNL     1      11.322   4.919  12.026  1.00  0.00           C  
HETATM    7  N   UNL     1       9.922   4.717  11.911  1.00  0.00           N  
HETATM    8  C   UNL     1       9.272   3.532  12.278  1.00  0.00           C  
HETATM    9  C   UNL     1       9.193   3.118  13.594  1.00  0.00           C  
HETATM   10  O   UNL     1       9.750   3.785  14.663  1.00  0.00           O  
HETATM   11  C   UNL     1       9.558   2.795  15.696  1.00  0.00           C  
HETATM   12  O   UNL     1       8.597   1.773  15.327  1.00  0.00           O  
HETATM   13  C   UNL     1       8.542   1.986  13.967  1.00  0.00           C  
HETATM   14  C   UNL     1       7.934   1.167  13.046  1.00  0.00           C  
HETATM   15  C   UNL     1       8.008   1.555  11.722  1.00  0.00           C  
HETATM   16  C   UNL     1       8.655   2.721  11.342  1.00  0.00           C  
HETATM   17 CL   UNL     1       8.718   3.182   9.676  1.00  0.00          Cl  
HETATM   18  N   UNL     1      11.791   6.128  11.717  1.00  0.00           N  
HETATM   19  C   UNL     1       9.479   8.826   8.173  1.00  0.00           C  
HETATM   20  S   UNL     1       9.432   9.817   9.641  1.00  0.00           S  
HETATM   21  O   UNL     1       9.117  11.151   9.176  1.00  0.00           O  
HETATM   22  O   UNL     1       8.574   9.134  10.589  1.00  0.00           O  
HETATM   23  C   UNL     1      11.145   9.789  10.152  1.00  0.00           C  
HETATM   24  C   UNL     1      11.864  10.959  10.054  1.00  0.00           C  
HETATM   25  C   UNL     1      13.187  10.967  10.436  1.00  0.00           C  
HETATM   26  C   UNL     1      13.786   9.822  10.914  1.00  0.00           C  
HETATM   27  C   UNL     1      13.079   8.644  11.020  1.00  0.00           C  
HETATM   28  C   UNL     1      11.745   8.636  10.632  1.00  0.00           C  
HETATM   29  H   UNL     1      14.758   7.574  11.660  1.00  0.00           H  
HETATM   30  H   UNL     1      14.154   3.378  12.869  1.00  0.00           H  
HETATM   31  H   UNL     1      11.752   2.913  12.705  1.00  0.00           H  
HETATM   32  H   UNL     1       9.367   5.465  11.547  1.00  0.00           H  
HETATM   33  H   UNL     1      10.524   2.307  15.892  1.00  0.00           H  
HETATM   34  H   UNL     1       9.167   3.313  16.584  1.00  0.00           H  
HETATM   35  H   UNL     1       7.423   0.263  13.343  1.00  0.00           H  
HETATM   36  H   UNL     1       7.551   0.935  10.965  1.00  0.00           H  
HETATM   37  H   UNL     1       9.489   9.480   7.289  1.00  0.00           H  
HETATM   38  H   UNL     1      10.387   8.205   8.179  1.00  0.00           H  
HETATM   39  H   UNL     1       8.591   8.178   8.140  1.00  0.00           H  
HETATM   40  H   UNL     1      11.396  11.859   9.682  1.00  0.00           H  
HETATM   41  H   UNL     1      11.171   7.724  10.705  1.00  0.00           H  
HETATM   42  H   UNL     1      13.760  11.879  10.360  1.00  0.00           H  
HETATM   43  H   UNL     1      14.824   9.848  11.210  1.00  0.00           H  
CONECT    1    2   27   29                                            
CONECT    2    1    3   18   18                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7   18                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9   16   16                                       
CONECT    9    8   10   13   13                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   33   34                                       
CONECT   12   11   13                                                 
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   16   36                                       
CONECT   16    8    8   15   17                                       
CONECT   17   16                                                      
CONECT   18    2    2    6                                            
CONECT   19   20   37   38   39                                       
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   28   28                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   26   42                                       
CONECT   26   25   27   27   43                                       
CONECT   27    1   26   26   28                                       
CONECT   28   23   23   27   41                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   28                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
