COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.707  -0.727   0.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.469  -0.414  -1.125  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.215   0.006  -1.523  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.192   0.116  -0.589  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.434  -0.198   0.742  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.691  -0.613   1.135  1.00  0.00           C  
HETATM    7 CL   UNL     1      -8.284  -1.256   0.698  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -2.922   0.541  -0.989  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.825   0.055  -0.376  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.476   0.595  -0.721  1.00  0.00           C  
HETATM   11  N   UNL     1       0.622   0.109  -0.108  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.368   1.472  -1.553  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.933  -0.822   0.456  1.00  0.00           O  
HETATM   14  C   UNL     1       1.945   0.638  -0.446  1.00  0.00           C  
HETATM   15  C   UNL     1       2.218   1.895   0.382  1.00  0.00           C  
HETATM   16  C   UNL     1       2.994  -0.400  -0.145  1.00  0.00           C  
HETATM   17  C   UNL     1       1.153   2.950   0.076  1.00  0.00           C  
HETATM   18  C   UNL     1       1.442   4.213   0.892  1.00  0.00           C  
HETATM   19  C   UNL     1       2.848   4.717   0.557  1.00  0.00           C  
HETATM   20  C   UNL     1       3.865   3.611   0.850  1.00  0.00           C  
HETATM   21  N   UNL     1       3.545   2.425   0.044  1.00  0.00           N  
HETATM   22  N   UNL     1       3.044  -1.108   0.933  1.00  0.00           N  
HETATM   23  C   UNL     1       4.031  -1.975   1.037  1.00  0.00           C  
HETATM   24  C   UNL     1       4.859  -2.000  -0.011  1.00  0.00           C  
HETATM   25  S   UNL     1       4.286  -0.817  -1.184  1.00  0.00           S  
HETATM   26  C   UNL     1       4.214  -2.862   2.242  1.00  0.00           C  
HETATM   27  C   UNL     1       6.068  -2.888  -0.165  1.00  0.00           C  
HETATM   28  O   UNL     1       5.683  -4.111  -0.797  1.00  0.00           O  
HETATM   29  H   UNL     1      -7.265  -0.500  -1.850  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.030   0.249  -2.559  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.641  -0.113   1.470  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.880  -0.857   2.170  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.831   1.186  -1.708  1.00  0.00           H  
HETATM   34  H   UNL     1       0.535  -0.592   0.557  1.00  0.00           H  
HETATM   35  H   UNL     1       1.976   0.889  -1.507  1.00  0.00           H  
HETATM   36  H   UNL     1       2.187   1.645   1.443  1.00  0.00           H  
HETATM   37  H   UNL     1       1.174   3.191  -0.987  1.00  0.00           H  
HETATM   38  H   UNL     1       0.169   2.562   0.341  1.00  0.00           H  
HETATM   39  H   UNL     1       0.711   4.982   0.644  1.00  0.00           H  
HETATM   40  H   UNL     1       1.381   3.981   1.955  1.00  0.00           H  
HETATM   41  H   UNL     1       2.897   4.986  -0.498  1.00  0.00           H  
HETATM   42  H   UNL     1       3.076   5.591   1.166  1.00  0.00           H  
HETATM   43  H   UNL     1       4.866   3.962   0.598  1.00  0.00           H  
HETATM   44  H   UNL     1       3.825   3.352   1.908  1.00  0.00           H  
HETATM   45  H   UNL     1       3.613   2.629  -0.942  1.00  0.00           H  
HETATM   46  H   UNL     1       4.840  -2.353   2.976  1.00  0.00           H  
HETATM   47  H   UNL     1       3.241  -3.079   2.684  1.00  0.00           H  
HETATM   48  H   UNL     1       4.692  -3.793   1.939  1.00  0.00           H  
HETATM   49  H   UNL     1       6.814  -2.382  -0.777  1.00  0.00           H  
HETATM   50  H   UNL     1       6.488  -3.103   0.817  1.00  0.00           H  
HETATM   51  H   UNL     1       6.413  -4.732  -0.928  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    3    1    1   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    8    3    3    5                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    1   32                                       
CONECT    7    1                                                      
CONECT    8    9    4   33                                            
CONECT    9   10   13   13    8                                       
CONECT   10   11   12   12    9                                       
CONECT   11   14   10   34                                            
CONECT   12   10   10                                                 
CONECT   13    9    9                                                 
CONECT   14   15   16   11   35                                       
CONECT   15   21   17   14   36                                       
CONECT   16   22   22   25   14                                       
CONECT   17   18   15   37   38                                       
CONECT   18   19   17   39   40                                       
CONECT   19   20   18   41   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   15   45                                            
CONECT   22   23   16   16                                            
CONECT   23   26   24   24   22                                       
CONECT   24   27   23   23   25                                       
CONECT   25   24   16                                                 
CONECT   26   23   46   47   48                                       
CONECT   27   28   24   49   50                                       
CONECT   28   27   51                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
