COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.962  -0.462   0.375  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.598  -1.457  -0.346  1.00  0.00           C  
HETATM    3 CL   UNL     1      -5.919  -2.990   0.404  1.00  0.00          Cl  
HETATM    4  N   UNL     1      -5.963  -1.254  -1.598  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.740  -0.106  -2.207  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.109   0.933  -1.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.711   0.757  -0.233  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.021   1.867   0.518  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.572   1.758   0.329  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.747   2.650   0.912  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.206   3.546   1.597  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.299   2.541   0.723  1.00  0.00           C  
HETATM   13  S   UNL     1       0.507   1.310  -0.241  1.00  0.00           S  
HETATM   14  C   UNL     1       0.632   3.384   1.263  1.00  0.00           C  
HETATM   15  C   UNL     1       1.928   3.085   0.946  1.00  0.00           C  
HETATM   16  C   UNL     1       2.082   1.993   0.140  1.00  0.00           C  
HETATM   17  C   UNL     1       3.373   1.469  -0.342  1.00  0.00           C  
HETATM   18  C   UNL     1       4.295   2.326  -0.922  1.00  0.00           C  
HETATM   19  C   UNL     1       5.510   1.842  -1.377  1.00  0.00           C  
HETATM   20  C   UNL     1       5.816   0.506  -1.259  1.00  0.00           C  
HETATM   21  C   UNL     1       4.907  -0.386  -0.679  1.00  0.00           C  
HETATM   22  S   UNL     1       5.027  -2.120  -0.402  1.00  0.00           S  
HETATM   23  C   UNL     1       3.675   0.079  -0.206  1.00  0.00           C  
HETATM   24  C   UNL     1       2.890  -0.938   0.349  1.00  0.00           C  
HETATM   25  C   UNL     1       3.430  -2.163   0.325  1.00  0.00           C  
HETATM   26  C   UNL     1       2.783  -3.373   0.852  1.00  0.00           C  
HETATM   27  O   UNL     1       1.678  -3.302   1.355  1.00  0.00           O  
HETATM   28  N   UNL     1       3.415  -4.561   0.779  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.669  -0.633   1.401  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.053   0.023  -3.233  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.930   1.871  -2.055  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.365   2.830   0.141  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.255   1.787   1.580  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.207   1.044  -0.217  1.00  0.00           H  
HETATM   35  H   UNL     1       0.364   4.221   1.890  1.00  0.00           H  
HETATM   36  H   UNL     1       2.764   3.667   1.304  1.00  0.00           H  
HETATM   37  H   UNL     1       4.064   3.376  -1.019  1.00  0.00           H  
HETATM   38  H   UNL     1       6.222   2.518  -1.828  1.00  0.00           H  
HETATM   39  H   UNL     1       6.767   0.141  -1.619  1.00  0.00           H  
HETATM   40  H   UNL     1       1.908  -0.750   0.758  1.00  0.00           H  
HETATM   41  H   UNL     1       4.296  -4.618   0.378  1.00  0.00           H  
HETATM   42  H   UNL     1       2.988  -5.360   1.127  1.00  0.00           H  
CONECT    1    2    2    7   29                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5                                            
CONECT    5    4    4    6   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    1    8    6    6                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   34                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   14   14                                       
CONECT   13   12   16                                                 
CONECT   14   12   12   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   13   17   15   15                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   25                                                 
CONECT   23   17   24   21   21                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   22   26                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   41   42                                            
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
