COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.026  -1.949  -0.496  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.178  -0.893  -0.774  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.649   0.409  -0.712  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.489   1.411  -0.650  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.826  -0.414  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.347  -1.711  -0.161  1.00  0.00           C  
HETATM    7  C   UNL     1       1.953   2.957  -1.088  1.00  0.00           C  
HETATM    8  O   UNL     1       6.840  -1.242  -2.904  1.00  0.00           O  
HETATM    9  S   UNL     1       2.050   0.495   2.088  1.00  0.00           S  
HETATM   10  O   UNL     1       0.968   0.403   3.004  1.00  0.00           O  
HETATM   11  O   UNL     1       3.331   0.996   2.445  1.00  0.00           O  
HETATM   12  C   UNL     1       3.334  -0.824  -0.581  1.00  0.00           C  
HETATM   13  C   UNL     1       4.600  -1.382   1.391  1.00  0.00           C  
HETATM   14  C   UNL     1       5.739  -1.513   0.629  1.00  0.00           C  
HETATM   15  C   UNL     1       6.898  -1.444  -1.573  1.00  0.00           C  
HETATM   16  C   UNL     1       0.131   1.591   0.488  1.00  0.00           C  
HETATM   17  O   UNL     1       7.953  -1.741  -1.049  1.00  0.00           O  
HETATM   18  O   UNL     1       2.275  -0.910   1.546  1.00  0.00           O  
HETATM   19  C   UNL     1       5.681  -1.304  -0.752  1.00  0.00           C  
HETATM   20  C   UNL     1       4.468  -0.952  -1.352  1.00  0.00           C  
HETATM   21  C   UNL     1       0.601   3.061  -1.354  1.00  0.00           C  
HETATM   22  C   UNL     1       2.394   2.169  -0.041  1.00  0.00           C  
HETATM   23  C   UNL     1       1.484   1.486   0.746  1.00  0.00           C  
HETATM   24  C   UNL     1       3.395  -1.038   0.791  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.314   2.373  -0.570  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.790   1.481  -0.994  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.041   0.387  -0.170  1.00  0.00           O  
HETATM   28  N   UNL     1      -6.461   1.963  -0.309  1.00  0.00           N  
HETATM   29 CL   UNL     1      -7.410  -3.043   0.173  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -5.979   0.651  -0.368  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.684   2.476  -0.837  1.00  0.00           N  
HETATM   32  H   UNL     1      -4.658  -2.963  -0.546  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.149  -1.083  -1.040  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.858  -0.231   0.160  1.00  0.00           H  
HETATM   35  H   UNL     1       2.666   3.489  -1.700  1.00  0.00           H  
HETATM   36  H   UNL     1       7.663  -1.345  -3.400  1.00  0.00           H  
HETATM   37  H   UNL     1       2.396  -0.552  -1.043  1.00  0.00           H  
HETATM   38  H   UNL     1       4.644  -1.544   2.458  1.00  0.00           H  
HETATM   39  H   UNL     1       6.675  -1.780   1.096  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.579   1.058   1.103  1.00  0.00           H  
HETATM   41  H   UNL     1       4.420  -0.782  -2.417  1.00  0.00           H  
HETATM   42  H   UNL     1       0.257   3.677  -2.172  1.00  0.00           H  
HETATM   43  H   UNL     1       3.451   2.085   0.162  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.133   2.273  -1.437  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.389   2.129  -0.082  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.867   2.707  -0.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.054   3.313  -1.157  1.00  0.00           H  
CONECT    1    6    2    2   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3   30   30    2   26                                       
CONECT    4   26   31   27   27                                       
CONECT    5    6    6   30   34                                       
CONECT    6   29    5    5    1                                       
CONECT    7   21   22   22   35                                       
CONECT    8   15   36                                                 
CONECT    9   23   10   10   18                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   24   24   20   37                                       
CONECT   13   14   14   24   38                                       
CONECT   14   13   13   19   39                                       
CONECT   15   17   17   19    8                                       
CONECT   16   25   23   23   40                                       
CONECT   17   15   15                                                 
CONECT   18    9   24                                                 
CONECT   19   14   15   20   20                                       
CONECT   20   19   19   12   41                                       
CONECT   21   25   25    7   42                                       
CONECT   22    7    7   23   43                                       
CONECT   23   16   16   22    9                                       
CONECT   24   13   18   12   12                                       
CONECT   25   31   21   21   16                                       
CONECT   26    3    4   44                                            
CONECT   27    4    4                                                 
CONECT   28   30   45   46                                            
CONECT   29    6                                                      
CONECT   30    5   28    3    3                                       
CONECT   31    4   25   47                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   31                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
