COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.945  -0.841   0.132  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.601  -0.266  -0.051  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.087  -2.062   0.683  1.00  0.00           O  
HETATM    4  O   UNL     1      -9.926  -0.211  -0.211  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.466  -0.978   0.345  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.265  -0.466   0.182  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.087   0.733  -0.358  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.174   1.500  -0.776  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.441   1.003  -0.630  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.454   1.369  -0.544  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.501  -0.008   0.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.031   0.321   0.087  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.124  -0.563   0.548  1.00  0.00           N  
HETATM   14  C   UNL     1       1.246  -0.299   0.410  1.00  0.00           C  
HETATM   15  C   UNL     1       1.714   1.004   0.503  1.00  0.00           C  
HETATM   16  C   UNL     1       3.065   1.265   0.367  1.00  0.00           C  
HETATM   17  C   UNL     1       3.955   0.225   0.139  1.00  0.00           C  
HETATM   18  C   UNL     1       3.492  -1.079   0.046  1.00  0.00           C  
HETATM   19  C   UNL     1       2.139  -1.344   0.187  1.00  0.00           C  
HETATM   20  O   UNL     1       5.284   0.484   0.005  1.00  0.00           O  
HETATM   21  C   UNL     1       6.143  -0.634  -0.229  1.00  0.00           C  
HETATM   22  C   UNL     1       7.589  -0.149  -0.351  1.00  0.00           C  
HETATM   23  C   UNL     1       8.491  -1.326  -0.725  1.00  0.00           C  
HETATM   24  O   UNL     1       9.821  -0.854  -0.953  1.00  0.00           O  
HETATM   25 CL   UNL     1       3.649   2.896   0.483  1.00  0.00          Cl  
HETATM   26  O   UNL     1       1.683  -2.622   0.102  1.00  0.00           O  
HETATM   27  C   UNL     1       2.656  -3.644  -0.128  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.664   1.382  -0.372  1.00  0.00           O  
HETATM   29  O   UNL     1       8.014   0.400   0.898  1.00  0.00           O  
HETATM   30  H   UNL     1      -9.988  -2.397   0.783  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.575  -1.957   0.788  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.018   2.474  -1.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.299   1.577  -0.947  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.797  -0.173   1.179  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.694  -0.909  -0.438  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.420  -1.383   0.974  1.00  0.00           H  
HETATM   37  H   UNL     1       1.023   1.815   0.680  1.00  0.00           H  
HETATM   38  H   UNL     1       4.185  -1.887  -0.132  1.00  0.00           H  
HETATM   39  H   UNL     1       6.063  -1.333   0.603  1.00  0.00           H  
HETATM   40  H   UNL     1       5.847  -1.132  -1.152  1.00  0.00           H  
HETATM   41  H   UNL     1       7.651   0.617  -1.125  1.00  0.00           H  
HETATM   42  H   UNL     1       8.498  -2.051   0.089  1.00  0.00           H  
HETATM   43  H   UNL     1       8.114  -1.800  -1.631  1.00  0.00           H  
HETATM   44  H   UNL     1      10.449  -1.548  -1.195  1.00  0.00           H  
HETATM   45  H   UNL     1       3.381  -3.645   0.685  1.00  0.00           H  
HETATM   46  H   UNL     1       2.160  -4.613  -0.175  1.00  0.00           H  
HETATM   47  H   UNL     1       3.168  -3.452  -1.071  1.00  0.00           H  
HETATM   48  H   UNL     1       7.985  -0.227   1.633  1.00  0.00           H  
CONECT    1    2    4    4    3                                       
CONECT    2    9    9    5    1                                       
CONECT    3    1   30                                                 
CONECT    4    1    1                                                 
CONECT    5    6    6    2   31                                       
CONECT    6    7    5    5                                            
CONECT    7   10    8    8    6                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8    2    2   33                                       
CONECT   10   11    7                                                 
CONECT   11   10   12   34   35                                       
CONECT   12   11   28   28   13                                       
CONECT   13   12   14   36                                            
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   25                                       
CONECT   17   18   18   16   20                                       
CONECT   18   19   17   17   38                                       
CONECT   19   26   14   14   18                                       
CONECT   20   17   21                                                 
CONECT   21   20   22   39   40                                       
CONECT   22   21   23   29   41                                       
CONECT   23   24   22   42   43                                       
CONECT   24   23   44                                                 
CONECT   25   16                                                      
CONECT   26   27   19                                                 
CONECT   27   26   45   46   47                                       
CONECT   28   12   12                                                 
CONECT   29   22   48                                                 
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
