COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.997   6.302  11.775  1.00  0.00           C  
HETATM    2  N   UNL     1      13.770   5.289  12.141  1.00  0.00           N  
HETATM    3  C   UNL     1      13.294   4.069  12.465  1.00  0.00           C  
HETATM    4  C   UNL     1      11.939   3.891  12.376  1.00  0.00           C  
HETATM    5  C   UNL     1      11.114   4.974  11.983  1.00  0.00           C  
HETATM    6  N   UNL     1       9.727   4.812  11.907  1.00  0.00           N  
HETATM    7  C   UNL     1       9.077   3.620  12.274  1.00  0.00           C  
HETATM    8  C   UNL     1       9.051   3.202  13.612  1.00  0.00           C  
HETATM    9  O   UNL     1       9.594   3.820  14.713  1.00  0.00           O  
HETATM   10  C   UNL     1       9.591   2.789  15.733  1.00  0.00           C  
HETATM   11  O   UNL     1       8.522   1.873  15.320  1.00  0.00           O  
HETATM   12  C   UNL     1       8.403   2.017  13.974  1.00  0.00           C  
HETATM   13  C   UNL     1       7.765   1.203  13.027  1.00  0.00           C  
HETATM   14  C   UNL     1       7.844   1.647  11.693  1.00  0.00           C  
HETATM   15  C   UNL     1       8.475   2.840  11.301  1.00  0.00           C  
HETATM   16 CL   UNL     1       8.548   3.374   9.620  1.00  0.00          Cl  
HETATM   17  N   UNL     1      11.662   6.165  11.700  1.00  0.00           N  
HETATM   18  N   UNL     1      15.519  12.248   9.574  1.00  0.00           N  
HETATM   19  S   UNL     1      14.683  12.416  10.987  1.00  0.00           S  
HETATM   20  O   UNL     1      15.606  12.157  12.049  1.00  0.00           O  
HETATM   21  O   UNL     1      13.932  13.646  10.973  1.00  0.00           O  
HETATM   22  C   UNL     1      13.524  11.096  11.040  1.00  0.00           C  
HETATM   23  C   UNL     1      12.158  11.312  10.929  1.00  0.00           C  
HETATM   24  C   UNL     1      11.272  10.247  10.978  1.00  0.00           C  
HETATM   25  C   UNL     1      11.751   8.950  11.161  1.00  0.00           C  
HETATM   26  C   UNL     1      13.124   8.740  11.279  1.00  0.00           C  
HETATM   27  N   UNL     1      13.684   7.478  11.475  1.00  0.00           N  
HETATM   28  C   UNL     1      14.012   9.825  11.227  1.00  0.00           C  
HETATM   29  H   UNL     1      14.678   7.409  11.392  1.00  0.00           H  
HETATM   30  H   UNL     1      13.950   3.271  12.780  1.00  0.00           H  
HETATM   31  H   UNL     1      11.502   2.930  12.604  1.00  0.00           H  
HETATM   32  H   UNL     1       9.173   5.577  11.577  1.00  0.00           H  
HETATM   33  H   UNL     1      10.561   2.273  15.781  1.00  0.00           H  
HETATM   34  H   UNL     1       9.425   3.198  16.740  1.00  0.00           H  
HETATM   35  H   UNL     1       7.247   0.296  13.302  1.00  0.00           H  
HETATM   36  H   UNL     1       7.393   1.035  10.926  1.00  0.00           H  
HETATM   37  H   UNL     1      14.877  12.214   8.808  1.00  0.00           H  
HETATM   38  H   UNL     1      16.136  13.026   9.457  1.00  0.00           H  
HETATM   39  H   UNL     1      11.782  12.317  10.804  1.00  0.00           H  
HETATM   40  H   UNL     1      15.074   9.662  11.333  1.00  0.00           H  
HETATM   41  H   UNL     1      10.211  10.422  10.875  1.00  0.00           H  
HETATM   42  H   UNL     1      11.065   8.117  11.211  1.00  0.00           H  
CONECT    1    2   17   17   27                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   17                                       
CONECT    6    5    7   32                                            
CONECT    7    6    8   15   15                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   33   34                                       
CONECT   11   10   12                                                 
CONECT   12    8    8   11   13                                       
CONECT   13   12   14   14   35                                       
CONECT   14   13   13   15   36                                       
CONECT   15    7    7   14   16                                       
CONECT   16   15                                                      
CONECT   17    1    1    5                                            
CONECT   18   19   37   38                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   28   28                                       
CONECT   23   22   24   24   39                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   28                                       
CONECT   27    1   26   29                                            
CONECT   28   22   22   26   40                                       
CONECT   29   27                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   28                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
