COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.264  -2.503   1.511  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.783  -1.903   0.568  1.00  0.00           C  
HETATM    3  C   UNL     1       0.623  -1.485   0.605  1.00  0.00           C  
HETATM    4  S   UNL     1       1.564  -0.603  -0.630  1.00  0.00           S  
HETATM    5  C   UNL     1       1.563  -1.674   1.607  1.00  0.00           C  
HETATM    6  C   UNL     1       2.830  -1.198   1.417  1.00  0.00           C  
HETATM    7  C   UNL     1       3.123  -0.535   0.237  1.00  0.00           C  
HETATM    8  C   UNL     1       4.400   0.068  -0.197  1.00  0.00           C  
HETATM    9  C   UNL     1       4.503   0.697  -1.442  1.00  0.00           C  
HETATM   10  N   UNL     1       5.475   0.017   0.591  1.00  0.00           N  
HETATM   11  C   UNL     1       6.618   0.561   0.206  1.00  0.00           C  
HETATM   12  N   UNL     1       7.713   0.495   1.049  1.00  0.00           N  
HETATM   13  C   UNL     1       8.990   1.087   0.640  1.00  0.00           C  
HETATM   14  N   UNL     1       6.742   1.163  -0.968  1.00  0.00           N  
HETATM   15  C   UNL     1       5.719   1.247  -1.804  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.542  -1.622  -0.509  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.946  -2.039  -0.546  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.036  -3.483  -1.041  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.191  -4.343  -0.202  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.725  -1.125  -1.493  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.740   0.277  -0.940  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.863   1.225  -1.435  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.876   2.510  -0.929  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.766   2.850   0.075  1.00  0.00           C  
HETATM   25 CL   UNL     1      -3.782   4.465   0.712  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -4.643   1.902   0.571  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.634   0.617   0.059  1.00  0.00           C  
HETATM   28 CL   UNL     1      -5.735  -0.573   0.680  1.00  0.00          Cl  
HETATM   29  H   UNL     1       1.300  -2.192   2.518  1.00  0.00           H  
HETATM   30  H   UNL     1       3.586  -1.329   2.177  1.00  0.00           H  
HETATM   31  H   UNL     1       3.652   0.752  -2.106  1.00  0.00           H  
HETATM   32  H   UNL     1       7.636   0.058   1.912  1.00  0.00           H  
HETATM   33  H   UNL     1       9.728   0.937   1.427  1.00  0.00           H  
HETATM   34  H   UNL     1       9.334   0.608  -0.277  1.00  0.00           H  
HETATM   35  H   UNL     1       8.856   2.154   0.465  1.00  0.00           H  
HETATM   36  H   UNL     1       5.833   1.740  -2.758  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.158  -1.143  -1.261  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.371  -1.971   0.456  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.070  -3.823  -0.984  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.693  -3.535  -2.075  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.605  -4.346   0.719  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.281  -5.280  -0.563  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.246  -1.124  -2.473  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.748  -1.488  -1.589  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.168   0.960  -2.218  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.191   3.250  -1.316  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.338   2.167   1.355  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    7                                                 
CONECT    5    3    3    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   15   31                                       
CONECT   10    8   11   11                                            
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   32                                            
CONECT   13   12   33   34   35                                       
CONECT   14   11   15   15                                            
CONECT   15    9   14   14   36                                       
CONECT   16    2   17   37                                            
CONECT   17   16   18   20   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   41   42                                            
CONECT   20   17   21   43   44                                       
CONECT   21   20   22   27   27                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   47                                       
CONECT   27   21   21   26   28                                       
CONECT   28   27                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
