COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.076   0.748  -0.027  1.00  0.00           C  
HETATM    2  C   UNL     1       1.623   3.210  -0.127  1.00  0.00           C  
HETATM    3  N   UNL     1       2.431   0.458   0.001  1.00  0.00           N  
HETATM    4  C   UNL     1       2.880  -0.935   0.069  1.00  0.00           C  
HETATM    5  C   UNL     1       6.814  -1.063  -0.308  1.00  0.00           C  
HETATM    6  C   UNL     1       5.161  -0.949   1.176  1.00  0.00           C  
HETATM    7  C   UNL     1       8.241  -1.131  -0.789  1.00  0.00           C  
HETATM    8  C   UNL     1       4.600  -0.869   2.573  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.240  -1.903   0.043  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.178  -0.705   0.928  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.449  -0.355   0.949  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.871  -1.733  -0.955  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.528  -2.077  -0.945  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.725   2.313  -0.107  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.565   1.287  -0.070  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.008  -0.977   0.017  1.00  0.00           O  
HETATM   17  S   UNL     1       5.438  -1.070  -1.323  1.00  0.00           S  
HETATM   18 CL   UNL     1      -1.327   3.940  -0.172  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.118   0.043  -0.020  1.00  0.00           C  
HETATM   20  N   UNL     1       0.176  -0.230   0.007  1.00  0.00           N  
HETATM   21  C   UNL     1       0.637   2.071  -0.086  1.00  0.00           C  
HETATM   22  C   UNL     1       4.387  -0.976   0.087  1.00  0.00           C  
HETATM   23  N   UNL     1       6.454  -0.997   0.929  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.394  -0.629  -0.003  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.702  -1.537   0.023  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.335  -0.855   0.014  1.00  0.00           C  
HETATM   27  H   UNL     1       1.853   3.529   0.890  1.00  0.00           H  
HETATM   28  H   UNL     1       2.537   2.882  -0.621  1.00  0.00           H  
HETATM   29  H   UNL     1       1.191   4.045  -0.680  1.00  0.00           H  
HETATM   30  H   UNL     1       3.082   1.177  -0.025  1.00  0.00           H  
HETATM   31  H   UNL     1       2.493  -1.398   0.977  1.00  0.00           H  
HETATM   32  H   UNL     1       2.513  -1.478  -0.801  1.00  0.00           H  
HETATM   33  H   UNL     1       8.551  -2.174  -0.859  1.00  0.00           H  
HETATM   34  H   UNL     1       8.317  -0.663  -1.770  1.00  0.00           H  
HETATM   35  H   UNL     1       8.887  -0.607  -0.085  1.00  0.00           H  
HETATM   36  H   UNL     1       4.495   0.176   2.863  1.00  0.00           H  
HETATM   37  H   UNL     1       3.625  -1.355   2.601  1.00  0.00           H  
HETATM   38  H   UNL     1       5.276  -1.372   3.265  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.009  -2.524  -0.822  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.017  -2.455   0.956  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.802   0.329   1.706  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.540  -2.139  -1.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.133  -2.758  -1.684  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.618  -0.078  -0.916  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.625  -0.009   0.863  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.375  -0.566   0.036  1.00  0.00           H  
CONECT    1   21    3   20   20                                       
CONECT    2   21   27   28   29                                       
CONECT    3    1    4   30                                            
CONECT    4    3   22   31   32                                       
CONECT    5   17    7   23   23                                       
CONECT    6   22   22   23    8                                       
CONECT    7    5   33   34   35                                       
CONECT    8    6   36   37   38                                       
CONECT    9   24   25   39   40                                       
CONECT   10   25   25   11                                            
CONECT   11   10   26   26   41                                       
CONECT   12   13   13   26   42                                       
CONECT   13   25   12   12   43                                       
CONECT   14   18   21   21   15                                       
CONECT   15   14   19   19                                            
CONECT   16   19   24                                                 
CONECT   17   22    5                                                 
CONECT   18   14                                                      
CONECT   19   15   15   20   16                                       
CONECT   20    1    1   19                                            
CONECT   21    2   14   14    1                                       
CONECT   22   17    4    6    6                                       
CONECT   23    5    5    6                                            
CONECT   24   16    9   44   45                                       
CONECT   25    9   10   10   13                                       
CONECT   26   11   11   12   46                                       
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
