COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.933   1.500  -0.265  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.696   1.623   0.257  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.241   0.720   1.324  1.00  0.00           C  
HETATM    4  C   UNL     1       0.223   2.658  -0.235  1.00  0.00           C  
HETATM    5  C   UNL     1       4.604   0.373  -0.036  1.00  0.00           C  
HETATM    6  C   UNL     1       4.515  -1.021  -0.162  1.00  0.00           C  
HETATM    7  C   UNL     1       3.535  -3.128   0.361  1.00  0.00           C  
HETATM    8  C   UNL     1       5.303  -3.100  -1.136  1.00  0.00           C  
HETATM    9  C   UNL     1       6.375  -0.973  -1.736  1.00  0.00           C  
HETATM   10 CL   UNL     1      -7.243  -1.915  -0.035  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -6.243  -0.533  -0.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.758   0.547  -1.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.964   1.649  -1.309  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.653   1.676  -0.873  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.132   0.595  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.933  -0.510   0.087  1.00  0.00           C  
HETATM   17 CL   UNL     1      -4.287  -1.864   0.960  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -2.804   0.620   0.267  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.264   2.186  -1.212  1.00  0.00           O  
HETATM   20  C   UNL     1       1.064   0.050   0.875  1.00  0.00           C  
HETATM   21  N   UNL     1       1.981   1.089   0.387  1.00  0.00           N  
HETATM   22  C   UNL     1       1.527   1.985  -0.680  1.00  0.00           C  
HETATM   23  S   UNL     1       3.500   1.241   1.029  1.00  0.00           S  
HETATM   24  O   UNL     1       3.489   0.531   2.260  1.00  0.00           O  
HETATM   25  O   UNL     1       3.844   2.616   0.927  1.00  0.00           O  
HETATM   26  C   UNL     1       3.558  -1.778   0.539  1.00  0.00           C  
HETATM   27  N   UNL     1       4.386  -3.742  -0.450  1.00  0.00           N  
HETATM   28  C   UNL     1       5.411  -1.705  -1.024  1.00  0.00           C  
HETATM   29  C   UNL     1       6.440   0.379  -1.580  1.00  0.00           C  
HETATM   30  C   UNL     1       5.556   1.050  -0.738  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.065   1.291   2.236  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.999  -0.042   1.506  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.228   3.177  -1.081  1.00  0.00           H  
HETATM   34  H   UNL     1       0.433   3.370   0.564  1.00  0.00           H  
HETATM   35  H   UNL     1       2.804  -3.715   0.896  1.00  0.00           H  
HETATM   36  H   UNL     1       5.973  -3.645  -1.784  1.00  0.00           H  
HETATM   37  H   UNL     1       7.065  -1.478  -2.395  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.782   0.529  -1.394  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.369   2.490  -1.853  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.033   2.536  -1.080  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.511   0.004   0.957  1.00  0.00           H  
HETATM   42  H   UNL     1       1.516  -0.471   1.719  1.00  0.00           H  
HETATM   43  H   UNL     1       0.854  -0.661   0.076  1.00  0.00           H  
HETATM   44  H   UNL     1       1.350   1.411  -1.589  1.00  0.00           H  
HETATM   45  H   UNL     1       2.286   2.744  -0.865  1.00  0.00           H  
HETATM   46  H   UNL     1       2.857  -1.298   1.205  1.00  0.00           H  
HETATM   47  H   UNL     1       7.182   0.941  -2.128  1.00  0.00           H  
HETATM   48  H   UNL     1       5.625   2.123  -0.640  1.00  0.00           H  
CONECT    1    2   19   19   18                                       
CONECT    2    3    4    1                                            
CONECT    3   20    2   31   32                                       
CONECT    4   22    2   33   34                                       
CONECT    5   23   30   30    6                                       
CONECT    6    5   26   26   28                                       
CONECT    7   26   27   27   35                                       
CONECT    8   28   28   27   36                                       
CONECT    9   29   29   28   37                                       
CONECT   10   11                                                      
CONECT   11   16   16   12   10                                       
CONECT   12   13   13   11   38                                       
CONECT   13   14   12   12   39                                       
CONECT   14   15   15   13   40                                       
CONECT   15   18   14   14   16                                       
CONECT   16   15   17   11   11                                       
CONECT   17   16                                                      
CONECT   18    1   15   41                                            
CONECT   19    1    1                                                 
CONECT   20   21    3   42   43                                       
CONECT   21   23   20   22                                            
CONECT   22   21    4   44   45                                       
CONECT   23   24   24   25   25                                       
CONECT   23   21    5                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26    6    6    7   46                                       
CONECT   27    7    7    8                                            
CONECT   28    6    9    8    8                                       
CONECT   29   30    9    9   47                                       
CONECT   30    5    5   29   48                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
