COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.084  -1.891  -0.407  1.00  0.00           C  
HETATM    2  C   UNL     1       2.003  -0.364  -0.065  1.00  0.00           C  
HETATM    3  C   UNL     1       4.489  -0.232  -0.089  1.00  0.00           C  
HETATM    4  C   UNL     1       2.552   0.832   0.222  1.00  0.00           C  
HETATM    5  C   UNL     1       1.717   2.044   0.545  1.00  0.00           C  
HETATM    6  C   UNL     1       6.675   0.668   0.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.101   2.902  -0.846  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.927   2.180  -0.466  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.098   0.892  -0.063  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.366   0.335  -0.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.538  -0.974   0.373  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.448  -1.730   0.761  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.179  -1.182   0.738  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.998   0.129   0.322  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.713   0.685   0.293  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.612  -0.126   0.069  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.374   0.256   0.140  1.00  0.00           N  
HETATM   18  C   UNL     1       0.555  -0.666  -0.110  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.677  -1.832  -0.362  1.00  0.00           S  
HETATM   20  S   UNL     1       3.307  -1.504  -0.387  1.00  0.00           S  
HETATM   21  N   UNL     1       3.867   0.871   0.203  1.00  0.00           N  
HETATM   22  N   UNL     1       5.868  -0.383  -0.158  1.00  0.00           N  
HETATM   23  C   UNL     1       8.171   0.504   0.015  1.00  0.00           C  
HETATM   24  O   UNL     1       6.196   1.746   0.372  1.00  0.00           O  
HETATM   25  H   UNL     1       0.682  -2.760  -0.638  1.00  0.00           H  
HETATM   26  H   UNL     1       1.537   2.086   1.620  1.00  0.00           H  
HETATM   27  H   UNL     1       2.244   2.944   0.229  1.00  0.00           H  
HETATM   28  H   UNL     1       0.763   1.979   0.020  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.788   2.949  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.824   3.913  -1.146  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.585   2.395  -1.680  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.220   0.923  -0.339  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.528  -1.407   0.392  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.587  -2.752   1.082  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.329  -1.775   1.041  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.594   1.638   0.430  1.00  0.00           H  
HETATM   37  H   UNL     1       6.251  -1.245  -0.384  1.00  0.00           H  
HETATM   38  H   UNL     1       8.411  -0.526  -0.250  1.00  0.00           H  
HETATM   39  H   UNL     1       8.573   1.177  -0.742  1.00  0.00           H  
HETATM   40  H   UNL     1       8.611   0.742   0.983  1.00  0.00           H  
CONECT    1   18   18   19   25                                       
CONECT    2   20   18    4    4                                       
CONECT    3   22   20   21   21                                       
CONECT    4    2    2   21    5                                       
CONECT    5    4   26   27   28                                       
CONECT    6   24   24   23   22                                       
CONECT    7    8   29   30   31                                       
CONECT    8    7    9                                                 
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   32                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   36                                            
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18                                            
CONECT   18   17    2    1    1                                       
CONECT   19   16    1                                                 
CONECT   20    3    2                                                 
CONECT   21    3    3    4                                            
CONECT   22    6    3   37                                            
CONECT   23    6   38   39   40                                       
CONECT   24    6    6                                                 
CONECT   25    1                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
