COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.032   0.629  -0.878  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.159  -0.416  -1.077  1.00  0.00           C  
HETATM    3  S   UNL     1      -5.939  -1.521   0.368  1.00  0.00           S  
HETATM    4  O   UNL     1      -6.723  -1.044   1.454  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.060  -2.873  -0.051  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.178  -1.137   0.677  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.780  -0.150  -0.439  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.768   0.782   0.065  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.926   1.657   1.147  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.826   2.335   1.322  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.893   1.925   0.351  1.00  0.00           C  
HETATM   12  C   UNL     1       0.484   2.297   0.027  1.00  0.00           C  
HETATM   13  O   UNL     1       1.078   3.144   0.671  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.514   0.941  -0.433  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.828   0.377  -1.440  1.00  0.00           N  
HETATM   16  C   UNL     1       0.396   0.720  -1.714  1.00  0.00           C  
HETATM   17  N   UNL     1       1.074   1.664  -1.013  1.00  0.00           N  
HETATM   18  C   UNL     1       2.453   1.996  -1.382  1.00  0.00           C  
HETATM   19  C   UNL     1       3.404   1.105  -0.626  1.00  0.00           C  
HETATM   20  C   UNL     1       3.795  -0.105  -1.168  1.00  0.00           C  
HETATM   21  C   UNL     1       4.669  -0.923  -0.474  1.00  0.00           C  
HETATM   22 CL   UNL     1       5.161  -2.443  -1.153  1.00  0.00          Cl  
HETATM   23  C   UNL     1       5.150  -0.529   0.763  1.00  0.00           C  
HETATM   24 CL   UNL     1       6.247  -1.554   1.635  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.758   0.683   1.304  1.00  0.00           C  
HETATM   26  C   UNL     1       3.889   1.501   0.607  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.837   1.152  -1.814  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.317   1.343  -0.104  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.139   0.062  -1.053  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.020  -0.962  -2.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.058  -0.670   1.655  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.576  -2.043   0.613  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.376  -0.702  -1.289  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.659   3.084   2.083  1.00  0.00           H  
HETATM   35  H   UNL     1       0.896   0.231  -2.536  1.00  0.00           H  
HETATM   36  H   UNL     1       2.588   1.846  -2.454  1.00  0.00           H  
HETATM   37  H   UNL     1       2.654   3.038  -1.133  1.00  0.00           H  
HETATM   38  H   UNL     1       3.419  -0.412  -2.132  1.00  0.00           H  
HETATM   39  H   UNL     1       5.133   0.990   2.268  1.00  0.00           H  
HETATM   40  H   UNL     1       3.583   2.447   1.029  1.00  0.00           H  
CONECT    1    2    7   27   28                                       
CONECT    2    3    1   29   30                                       
CONECT    3    4    4    6    5                                       
CONECT    3    5    2                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    3    7   31   32                                       
CONECT    7    6    8    1   33                                       
CONECT    8    9   14    7                                            
CONECT    9   10   10    8                                            
CONECT   10    9    9   11   34                                       
CONECT   11   10   12   14   14                                       
CONECT   12   13   13   11   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   11    8   15                                       
CONECT   15   14   16   16                                            
CONECT   16   17   15   15   35                                       
CONECT   17   12   18   16                                            
CONECT   18   17   19   36   37                                       
CONECT   19   26   18   20   20                                       
CONECT   20   19   19   21   38                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21                                                      
CONECT   23   25   24   21   21                                       
CONECT   24   23                                                      
CONECT   25   26   26   23   39                                       
CONECT   26   25   25   19   40                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
