COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.477   0.320   0.088  1.00  0.00           C  
HETATM    2  C   UNL     1       1.620  -0.368   0.027  1.00  0.00           C  
HETATM    3  S   UNL     1       1.305  -2.094  -0.015  1.00  0.00           S  
HETATM    4  C   UNL     1      -0.430  -1.829   0.054  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.692  -0.453   0.105  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.524  -2.721   0.065  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.758  -2.241   0.124  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.005  -0.984   0.171  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.056  -0.062   0.169  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.391   1.279   0.228  1.00  0.00           N  
HETATM   11  C   UNL     1       2.967   0.242  -0.002  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.295  -4.177   0.013  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.799   1.679   0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.377   1.753  -1.120  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.782   2.175  -1.056  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.907   3.514  -0.466  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.375   3.493   0.969  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.908   3.056   0.957  1.00  0.00           C  
HETATM   19  C   UNL     1       4.101  -0.569  -0.066  1.00  0.00           C  
HETATM   20  C   UNL     1       5.355   0.005  -0.093  1.00  0.00           C  
HETATM   21  C   UNL     1       5.490   1.383  -0.056  1.00  0.00           C  
HETATM   22  C   UNL     1       4.368   2.192   0.008  1.00  0.00           C  
HETATM   23  C   UNL     1       3.108   1.630   0.029  1.00  0.00           C  
HETATM   24 CL   UNL     1       7.071   2.099  -0.090  1.00  0.00          Cl  
HETATM   25  N   UNL     1      -2.343  -5.025   0.024  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.161  -4.613  -0.041  1.00  0.00           O  
HETATM   27  H   UNL     1       0.455   1.399   0.126  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.695   1.954   0.226  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.358   0.949   0.879  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.808   2.473  -1.708  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.314   0.771  -1.590  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.213   2.139  -1.967  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.331   4.226  -1.057  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.956   3.811  -0.460  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.454   4.491   1.400  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.960   2.792   1.564  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.537   2.998   1.980  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.316   3.778   0.395  1.00  0.00           H  
HETATM   39  H   UNL     1       3.997  -1.643  -0.095  1.00  0.00           H  
HETATM   40  H   UNL     1       6.234  -0.621  -0.142  1.00  0.00           H  
HETATM   41  H   UNL     1       4.479   3.266   0.038  1.00  0.00           H  
HETATM   42  H   UNL     1       2.234   2.262   0.079  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.247  -4.677   0.067  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.192  -5.983  -0.011  1.00  0.00           H  
CONECT    1    2    2    5   27                                       
CONECT    2    1    1   11    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    6    5                                       
CONECT    5    1    4    9    9                                       
CONECT    6    4    4   12    7                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7    9                                            
CONECT    9    5    5    8   10                                       
CONECT   10    9   13   28                                            
CONECT   11    2   23   23   19                                       
CONECT   12    6   26   26   25                                       
CONECT   13   10   18   14   29                                       
CONECT   14   13   15   30   31                                       
CONECT   15   14   16   32                                            
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   13   17   37   38                                       
CONECT   19   11   20   20   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   41                                       
CONECT   23   11   11   22   42                                       
CONECT   24   21                                                      
CONECT   25   12   43   44                                            
CONECT   26   12   12                                                 
CONECT   27    1                                                      
CONECT   28   10                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
