COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.458   0.227   0.941  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.900   0.204   0.503  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.670   1.349   0.598  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.992   1.327   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.545   0.162  -0.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.775  -0.982  -0.396  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.451  -0.960   0.001  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.878   2.000  -0.646  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.572   0.621  -0.242  1.00  0.00           C  
HETATM   10  O   UNL     1       0.339   0.490  -1.295  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.123   0.525   0.161  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.280  -3.026   0.578  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.128  -1.964  -0.168  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.104  -0.910   0.553  1.00  0.00           C  
HETATM   15  C   UNL     1       0.808  -0.176  -0.397  1.00  0.00           C  
HETATM   16  C   UNL     1       3.032   0.452  -1.170  1.00  0.00           C  
HETATM   17  C   UNL     1       4.466   0.194  -0.788  1.00  0.00           C  
HETATM   18  C   UNL     1       5.218  -0.805  -1.253  1.00  0.00           C  
HETATM   19  C   UNL     1       6.510  -0.842  -0.758  1.00  0.00           C  
HETATM   20  C   UNL     1       6.808   0.129   0.109  1.00  0.00           C  
HETATM   21  C   UNL     1       0.147  -2.429   0.453  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.507  -0.673   0.181  1.00  0.00           N  
HETATM   23  N   UNL     1       2.145  -0.261  -0.247  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.512   1.526   0.469  1.00  0.00           O  
HETATM   25  S   UNL     1       5.408   1.169   0.333  1.00  0.00           S  
HETATM   26 CL   UNL     1       8.344   0.337   0.890  1.00  0.00          Cl  
HETATM   27  H   UNL     1      -4.334   0.953   1.745  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.171  -0.762   1.297  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.238   2.259   0.986  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.594   2.221   0.272  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.579   0.145  -0.613  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.207  -1.893  -0.784  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.849  -1.852  -0.077  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.710   2.644   0.112  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.352   2.262  -1.466  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.762  -0.053  -1.078  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.581  -3.103   1.622  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.343  -3.995   0.083  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.081  -2.129  -1.244  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.161  -1.994   0.177  1.00  0.00           H  
HETATM   41  H   UNL     1       0.073  -0.571   1.573  1.00  0.00           H  
HETATM   42  H   UNL     1       2.828   1.521  -1.116  1.00  0.00           H  
HETATM   43  H   UNL     1       2.857   0.100  -2.187  1.00  0.00           H  
HETATM   44  H   UNL     1       4.846  -1.531  -1.961  1.00  0.00           H  
HETATM   45  H   UNL     1       7.223  -1.598  -1.051  1.00  0.00           H  
HETATM   46  H   UNL     1       0.780  -2.770   1.271  1.00  0.00           H  
HETATM   47  H   UNL     1       0.588  -2.685  -0.510  1.00  0.00           H  
HETATM   48  H   UNL     1       2.520  -0.794   0.471  1.00  0.00           H  
CONECT    1    2    9   27   28                                       
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    2    2    6   33                                       
CONECT    8    9   34   35                                            
CONECT    9    1    8   11   36                                       
CONECT   10   15   15                                                 
CONECT   11    9   22   24   24                                       
CONECT   12   13   21   37   38                                       
CONECT   13   12   22   39   40                                       
CONECT   14   22   21   15   41                                       
CONECT   15   14   10   10   23                                       
CONECT   16   23   17   42   43                                       
CONECT   17   16   25   18   18                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   25   19   19   26                                       
CONECT   21   12   14   46   47                                       
CONECT   22   13   11   14                                            
CONECT   23   15   16   48                                            
CONECT   24   11   11                                                 
CONECT   25   17   20                                                 
CONECT   26   20                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
