COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.767   3.613   1.485  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.487   2.090   0.015  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.270   2.959   0.397  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.628   3.171   0.144  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.871  -0.181   0.124  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.817   2.283  -0.360  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.300   1.360  -0.940  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -4.637   1.176  -0.476  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.140  -0.028  -0.230  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.053   0.854   0.241  1.00  0.00           N  
HETATM   11  S   UNL     1      -2.255  -1.803   0.433  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.755  -2.771   0.133  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.459  -4.234   0.344  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.348  -4.585   0.665  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.430  -5.146   0.176  1.00  0.00           O  
HETATM   16  C   UNL     1       0.384   1.879  -0.179  1.00  0.00           C  
HETATM   17  C   UNL     1       1.731   1.672   0.074  1.00  0.00           C  
HETATM   18  C   UNL     1       2.420   2.538   0.912  1.00  0.00           C  
HETATM   19  C   UNL     1       0.426   3.826   1.231  1.00  0.00           C  
HETATM   20  O   UNL     1       2.374   0.615  -0.489  1.00  0.00           O  
HETATM   21  C   UNL     1       3.762   0.463  -0.184  1.00  0.00           C  
HETATM   22  C   UNL     1       4.309  -0.772  -0.902  1.00  0.00           C  
HETATM   23  C   UNL     1       5.773  -0.932  -0.581  1.00  0.00           C  
HETATM   24  C   UNL     1       6.726  -0.325  -1.377  1.00  0.00           C  
HETATM   25  C   UNL     1       8.068  -0.472  -1.082  1.00  0.00           C  
HETATM   26  C   UNL     1       8.458  -1.226   0.009  1.00  0.00           C  
HETATM   27  C   UNL     1       7.505  -1.833   0.806  1.00  0.00           C  
HETATM   28  C   UNL     1       6.162  -1.681   0.513  1.00  0.00           C  
HETATM   29  H   UNL     1       2.305   4.285   2.137  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.970   4.075   0.059  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.197   3.275  -0.554  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.536  -2.455   0.824  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.091  -2.613  -0.892  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.192  -6.071   0.323  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.155   1.201  -0.824  1.00  0.00           H  
HETATM   36  H   UNL     1       3.467   2.372   1.116  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.082   4.667   1.680  1.00  0.00           H  
HETATM   38  H   UNL     1       4.306   1.348  -0.516  1.00  0.00           H  
HETATM   39  H   UNL     1       3.886   0.343   0.892  1.00  0.00           H  
HETATM   40  H   UNL     1       3.765  -1.656  -0.571  1.00  0.00           H  
HETATM   41  H   UNL     1       4.185  -0.651  -1.979  1.00  0.00           H  
HETATM   42  H   UNL     1       6.422   0.264  -2.230  1.00  0.00           H  
HETATM   43  H   UNL     1       8.813   0.002  -1.704  1.00  0.00           H  
HETATM   44  H   UNL     1       9.507  -1.341   0.240  1.00  0.00           H  
HETATM   45  H   UNL     1       7.809  -2.422   1.658  1.00  0.00           H  
HETATM   46  H   UNL     1       5.417  -2.152   1.138  1.00  0.00           H  
CONECT    1   19   18   18   29                                       
CONECT    2    6    6   10    4                                       
CONECT    3    4   19   19   16                                       
CONECT    4    2    3   30                                            
CONECT    5    9   11   10   10                                       
CONECT    6    8    2    2   31                                       
CONECT    7    8                                                      
CONECT    8    7    9    9    6                                       
CONECT    9    8    8    5                                            
CONECT   10    5    5    2                                            
CONECT   11    5   12                                                 
CONECT   12   11   13   32   33                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   34                                                 
CONECT   16    3   17   17   35                                       
CONECT   17   16   16   18   20                                       
CONECT   18    1    1   17   36                                       
CONECT   19    3    3    1   37                                       
CONECT   20   17   21                                                 
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   42                                       
CONECT   25   24   24   26   43                                       
CONECT   26   27   27   25   44                                       
CONECT   27   28   26   26   45                                       
CONECT   28   23   23   27   46                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
