COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.978   3.418  -0.972  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.676  -0.058  -2.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.829   0.653  -1.946  1.00  0.00           C  
HETATM    4  C   UNL     1       4.226   2.680   0.576  1.00  0.00           C  
HETATM    5  C   UNL     1       5.202   1.093  -0.960  1.00  0.00           C  
HETATM    6  C   UNL     1       3.412   1.685   1.076  1.00  0.00           C  
HETATM    7  C   UNL     1       4.389   0.105  -0.444  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.567   0.077  -1.411  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.877   1.503  -0.855  1.00  0.00           C  
HETATM   10  C   UNL     1       5.129   2.390  -0.448  1.00  0.00           C  
HETATM   11  C   UNL     1       3.492   0.401   0.567  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.610   0.929  -0.315  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.771   1.644  -0.039  1.00  0.00           C  
HETATM   14  C   UNL     1       0.642  -4.986   0.213  1.00  0.00           C  
HETATM   15  C   UNL     1       0.739  -2.934  -0.426  1.00  0.00           C  
HETATM   16  C   UNL     1       0.299   0.033   0.742  1.00  0.00           C  
HETATM   17  C   UNL     1       1.015  -6.373   0.668  1.00  0.00           C  
HETATM   18  C   UNL     1       2.599  -0.681   1.118  1.00  0.00           C  
HETATM   19  C   UNL     1       1.240  -1.572  -0.832  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.986  -0.006  -0.044  1.00  0.00           C  
HETATM   21  N   UNL     1       6.651   4.234  -1.387  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.565  -4.536   0.022  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.507  -3.308  -0.360  1.00  0.00           N  
HETATM   24  N   UNL     1       1.349  -0.718   0.354  1.00  0.00           N  
HETATM   25  O   UNL     1       0.389   0.740   1.723  1.00  0.00           O  
HETATM   26  O   UNL     1       1.494  -3.985  -0.065  1.00  0.00           O  
HETATM   27  S   UNL     1      -2.197   1.105   0.724  1.00  0.00           S  
HETATM   28 CL   UNL     1      -4.831   2.711   1.329  1.00  0.00          Cl  
HETATM   29  H   UNL     1      -4.644  -0.724  -3.072  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.695   0.545  -2.582  1.00  0.00           H  
HETATM   31  H   UNL     1       4.162   3.682   0.974  1.00  0.00           H  
HETATM   32  H   UNL     1       5.901   0.860  -1.749  1.00  0.00           H  
HETATM   33  H   UNL     1       2.710   1.909   1.866  1.00  0.00           H  
HETATM   34  H   UNL     1       4.452  -0.901  -0.831  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.667  -0.479  -1.628  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.779   2.057  -0.642  1.00  0.00           H  
HETATM   37  H   UNL     1       1.061  -6.398   1.757  1.00  0.00           H  
HETATM   38  H   UNL     1       0.265  -7.084   0.320  1.00  0.00           H  
HETATM   39  H   UNL     1       1.988  -6.642   0.258  1.00  0.00           H  
HETATM   40  H   UNL     1       3.103  -1.644   1.037  1.00  0.00           H  
HETATM   41  H   UNL     1       2.378  -0.472   2.165  1.00  0.00           H  
HETATM   42  H   UNL     1       2.220  -1.671  -1.299  1.00  0.00           H  
HETATM   43  H   UNL     1       0.543  -1.124  -1.539  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.796   0.316  -1.068  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.378  -1.023  -0.050  1.00  0.00           H  
CONECT    1   21   21   21   10                                       
CONECT    2    3    3    8   29                                       
CONECT    3    2    2    9   30                                       
CONECT    4   10   10    6   31                                       
CONECT    5   10    7    7   32                                       
CONECT    6    4   11   11   33                                       
CONECT    7    5    5   11   34                                       
CONECT    8    2   12   12   35                                       
CONECT    9    3   13   13   36                                       
CONECT   10    1    4    4    5                                       
CONECT   11    6    6    7   18                                       
CONECT   12    8    8   13   27                                       
CONECT   13    9    9   12   28                                       
CONECT   14   22   22   17   26                                       
CONECT   15   23   23   26   19                                       
CONECT   16   24   20   25   25                                       
CONECT   17   14   37   38   39                                       
CONECT   18   11   24   40   41                                       
CONECT   19   15   24   42   43                                       
CONECT   20   16   27   44   45                                       
CONECT   21    1    1    1                                            
CONECT   22   14   14   23                                            
CONECT   23   22   15   15                                            
CONECT   24   19   18   16                                            
CONECT   25   16   16                                                 
CONECT   26   14   15                                                 
CONECT   27   20   12                                                 
CONECT   28   13                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
