COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.444   0.030   2.920  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.667  -0.955   0.788  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.665   1.248   1.054  1.00  0.00           O  
HETATM    4  S   UNL     1      -5.066  -0.820  -0.750  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.897   0.153   1.521  1.00  0.00           C  
HETATM    6  N   UNL     1       0.380   1.475  -0.310  1.00  0.00           N  
HETATM    7  O   UNL     1      -5.862   0.157  -1.407  1.00  0.00           O  
HETATM    8  S   UNL     1       3.312  -2.364   0.081  1.00  0.00           S  
HETATM    9  C   UNL     1      -3.447  -0.138  -0.619  1.00  0.00           C  
HETATM   10  N   UNL     1       4.423   2.676   0.031  1.00  0.00           N  
HETATM   11  O   UNL     1      -4.905  -2.146  -1.235  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.273   1.234  -0.645  1.00  0.00           C  
HETATM   13  N   UNL     1       5.762  -2.654   0.319  1.00  0.00           N  
HETATM   14  O   UNL     1       2.321   3.543  -0.193  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.005   1.772  -0.542  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.904   0.934  -0.414  1.00  0.00           C  
HETATM   17  C   UNL     1       1.458   0.652  -0.184  1.00  0.00           C  
HETATM   18  C   UNL     1       2.712   1.181  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       3.087   2.600  -0.092  1.00  0.00           C  
HETATM   20  C   UNL     1       4.996   1.413   0.123  1.00  0.00           C  
HETATM   21  C   UNL     1       6.323   1.002   0.261  1.00  0.00           C  
HETATM   22  C   UNL     1       6.642  -0.317   0.332  1.00  0.00           C  
HETATM   23  C   UNL     1       5.644  -1.313   0.267  1.00  0.00           C  
HETATM   24  C   UNL     1       4.694  -3.352   0.240  1.00  0.00           C  
HETATM   25  C   UNL     1       4.311  -0.915   0.130  1.00  0.00           C  
HETATM   26  C   UNL     1       3.991   0.447   0.059  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.084  -0.443  -0.388  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.355  -0.975  -0.485  1.00  0.00           C  
HETATM   29  H   UNL     1       4.923   3.507   0.052  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.399   0.552   2.984  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.588  -1.023   3.162  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.740   0.472   3.625  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.853  -1.831   1.161  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.128   1.885  -0.745  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.869   2.844  -0.563  1.00  0.00           H  
HETATM   36  H   UNL     1       1.320  -0.419  -0.164  1.00  0.00           H  
HETATM   37  H   UNL     1       7.107   1.743   0.311  1.00  0.00           H  
HETATM   38  H   UNL     1       7.677  -0.609   0.438  1.00  0.00           H  
HETATM   39  H   UNL     1       4.669  -4.431   0.271  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.230  -1.098  -0.288  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.495  -2.045  -0.461  1.00  0.00           H  
HETATM   42  H   UNL     1       0.504   2.437  -0.329  1.00  0.00           H  
CONECT    1   31    5   30   32                                       
CONECT    2   33    4    5                                            
CONECT    3    5    5                                                 
CONECT    4    2   11   11    7                                       
CONECT    4    7    9                                                 
CONECT    5    1    2    3    3                                       
CONECT    6   17   16   42                                            
CONECT    7    4    4                                                 
CONECT    8   24   25                                                 
CONECT    9    4   28   12   12                                       
CONECT   10   20   19   29                                            
CONECT   11    4    4                                                 
CONECT   12    9    9   15   34                                       
CONECT   13   24   24   23                                            
CONECT   14   19   19                                                 
CONECT   15   12   16   16   35                                       
CONECT   16   15   15    6   27                                       
CONECT   17    6   18   18   36                                       
CONECT   18   17   17   26   19                                       
CONECT   19   14   14   10   18                                       
CONECT   20   10   26   21   21                                       
CONECT   21   20   20   22   37                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   13   25                                       
CONECT   24    8   13   13   39                                       
CONECT   25    8   23   26   26                                       
CONECT   26   18   20   25   25                                       
CONECT   27   16   40   28   28                                       
CONECT   28    9   27   27   41                                       
CONECT   29   10                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42    6                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
