COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.586   0.892   1.011  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.424   1.392  -0.892  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.995   2.250   0.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.836   1.970   0.807  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.108   0.833   0.513  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.846   0.528   1.278  1.00  0.00           C  
HETATM    7  C   UNL     1       2.695   1.287   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1       4.995   1.008  -0.471  1.00  0.00           C  
HETATM    9  C   UNL     1       6.316  -0.802   0.358  1.00  0.00           C  
HETATM   10  C   UNL     1       4.051  -0.581   1.117  1.00  0.00           C  
HETATM   11  O   UNL     1       0.182   1.617  -0.546  1.00  0.00           O  
HETATM   12  C   UNL     1       0.343   1.052   0.515  1.00  0.00           C  
HETATM   13  C   UNL     1       3.903   0.558   0.316  1.00  0.00           C  
HETATM   14  C   UNL     1       5.242  -1.242   1.130  1.00  0.00           C  
HETATM   15  C   UNL     1       6.207   0.301  -0.432  1.00  0.00           C  
HETATM   16  C   UNL     1       4.826   2.152  -1.268  1.00  0.00           C  
HETATM   17  N   UNL     1       3.675   2.783  -1.281  1.00  0.00           N  
HETATM   18  C   UNL     1       2.633   2.394  -0.561  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.910   3.679   0.473  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -3.697   0.252  -1.182  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.537  -0.024  -0.483  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.742  -1.264  -0.804  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.049  -2.308   0.177  1.00  0.00           N  
HETATM   24  S   UNL     1      -1.622  -3.879  -0.124  1.00  0.00           S  
HETATM   25  O   UNL     1      -2.093  -4.594   1.010  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.139  -4.140  -1.422  1.00  0.00           O  
HETATM   27  C   UNL     1       0.192  -3.857  -0.155  1.00  0.00           C  
HETATM   28  H   UNL     1       1.711   0.498   1.889  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.328   1.610  -1.440  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.501   2.640   1.584  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.890   1.007   2.256  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.750  -0.550   1.405  1.00  0.00           H  
HETATM   33  H   UNL     1       7.249  -1.345   0.387  1.00  0.00           H  
HETATM   34  H   UNL     1       3.227  -0.932   1.721  1.00  0.00           H  
HETATM   35  H   UNL     1       5.357  -2.121   1.748  1.00  0.00           H  
HETATM   36  H   UNL     1       7.048   0.631  -1.025  1.00  0.00           H  
HETATM   37  H   UNL     1       5.644   2.512  -1.874  1.00  0.00           H  
HETATM   38  H   UNL     1       1.714   2.958  -0.617  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.034  -0.421  -1.957  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.003  -1.615  -1.802  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.678  -1.033  -0.767  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.503  -2.079   1.003  1.00  0.00           H  
HETATM   43  H   UNL     1       0.567  -3.511   0.808  1.00  0.00           H  
HETATM   44  H   UNL     1       0.564  -4.863  -0.350  1.00  0.00           H  
HETATM   45  H   UNL     1       0.534  -3.184  -0.942  1.00  0.00           H  
CONECT    1    7   12   28                                            
CONECT    2    3    3   20   29                                       
CONECT    3    4   19    2    2                                       
CONECT    4    5    5    3   30                                       
CONECT    5    6    4    4   21                                       
CONECT    6   12    5   31   32                                       
CONECT    7   13   13   18    1                                       
CONECT    8   15   16   16   13                                       
CONECT    9   15   15   14   33                                       
CONECT   10   14   14   13   34                                       
CONECT   11   12   12                                                 
CONECT   12    1    6   11   11                                       
CONECT   13    8   10    7    7                                       
CONECT   14    9   10   10   35                                       
CONECT   15    9    9    8   36                                       
CONECT   16    8    8   17   37                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17    7   38                                       
CONECT   19    3                                                      
CONECT   20   21   21    2   39                                       
CONECT   21    5   22   20   20                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   24   42                                            
CONECT   24   27   26   26   23                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   43   44   45                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
