COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.587  -2.116   0.181  1.00  0.00           C  
HETATM    2  C   UNL     1       4.165  -0.415   0.035  1.00  0.00           C  
HETATM    3  C   UNL     1       0.559   0.457   0.080  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.852  -1.065   0.365  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.449  -0.813   1.751  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.089  -2.499  -0.031  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.274  -3.498   0.470  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.341  -4.134  -1.252  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.991   1.470   0.146  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.606   2.807  -0.031  1.00  0.00           C  
HETATM   11  C   UNL     1       5.444   0.092  -0.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.254   3.128  -0.125  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.627   3.866  -0.117  1.00  0.00           C  
HETATM   14  C   UNL     1       6.136  -3.511   0.332  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.523  -5.132  -0.756  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.055   0.486   0.226  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.253   5.150  -0.286  1.00  0.00           O  
HETATM   18  N   UNL     1       4.273  -1.780   0.195  1.00  0.00           N  
HETATM   19  C   UNL     1       2.921   0.356  -0.006  1.00  0.00           C  
HETATM   20  O   UNL     1       2.958   1.564  -0.153  1.00  0.00           O  
HETATM   21  N   UNL     1       1.734  -0.271   0.119  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.623  -0.046   0.189  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.673   0.792   0.132  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.448  -0.805   0.397  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.491  -4.814   0.107  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.124  -2.818  -0.889  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.805   3.582  -0.035  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.294   2.128  -0.044  1.00  0.00           C  
HETATM   29  S   UNL     1       0.465   2.201  -0.118  1.00  0.00           S  
HETATM   30 CL   UNL     1       5.878   1.759  -0.296  1.00  0.00          Cl  
HETATM   31  C   UNL     1       6.325  -0.992   0.016  1.00  0.00           C  
HETATM   32 CL   UNL     1       8.057  -0.910  -0.064  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -5.328  -0.405  -0.360  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.278   0.225   2.038  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.521  -1.011   1.727  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.974  -1.473   2.477  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.467  -3.249   1.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.147  -4.382  -1.926  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.039   1.220   0.219  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.952   4.156  -0.261  1.00  0.00           H  
HETATM   41  H   UNL     1       6.226  -3.974  -0.650  1.00  0.00           H  
HETATM   42  H   UNL     1       7.118  -3.466   0.803  1.00  0.00           H  
HETATM   43  H   UNL     1       5.463  -4.102   0.952  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.690  -6.159  -1.042  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.958   5.810  -0.337  1.00  0.00           H  
HETATM   46  H   UNL     1       3.532  -2.398   0.299  1.00  0.00           H  
HETATM   47  H   UNL     1       1.704  -1.234   0.236  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.853  -5.594   0.497  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.764  -2.039  -1.276  1.00  0.00           H  
CONECT    1   14   18   31   31                                       
CONECT    2   18   19   11   11                                       
CONECT    3   29   21   22   22                                       
CONECT    4    5   24    6   33                                       
CONECT    5    4   34   35   36                                       
CONECT    6    4    7    7   26                                       
CONECT    7    6    6   25   37                                       
CONECT    8   26   26   15   38                                       
CONECT    9   10   16   16   39                                       
CONECT   10   12   12   13    9                                       
CONECT   11   31    2    2   30                                       
CONECT   12   28   10   10   40                                       
CONECT   13   27   27   10   17                                       
CONECT   14    1   41   42   43                                       
CONECT   15   25   25    8   44                                       
CONECT   16   23    9    9   24                                       
CONECT   17   13   45                                                 
CONECT   18    1    2   46                                            
CONECT   19   20   20    2   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    3   47                                            
CONECT   22    3    3   23                                            
CONECT   23   28   28   22   16                                       
CONECT   24   16    4                                                 
CONECT   25    7   15   15   48                                       
CONECT   26    6    8    8   49                                       
CONECT   27   13   13                                                 
CONECT   28   29   12   23   23                                       
CONECT   29   28    3                                                 
CONECT   30   11                                                      
CONECT   31    1    1   32   11                                       
CONECT   32   31                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
