COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.999  -2.770   3.047  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.446  -2.011   2.035  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.375  -2.415   0.898  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.038  -0.654   2.316  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.449  -0.029   1.056  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.662  -0.209   0.430  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.790  -0.961   0.744  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.883  -0.944  -0.093  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.874  -0.179  -1.257  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.963  -0.174  -2.072  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.076  -0.975  -1.672  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.767   0.574  -1.587  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.647   0.567  -0.745  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.388   1.213  -0.798  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.685   0.841   0.303  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.324   1.286   0.636  1.00  0.00           C  
HETATM   17  O   UNL     1       0.255   0.810   1.593  1.00  0.00           O  
HETATM   18  N   UNL     1       0.283   2.223  -0.121  1.00  0.00           N  
HETATM   19  S   UNL     1       1.859   2.634   0.176  1.00  0.00           S  
HETATM   20  O   UNL     1       2.210   3.608  -0.798  1.00  0.00           O  
HETATM   21  O   UNL     1       1.957   2.864   1.575  1.00  0.00           O  
HETATM   22  C   UNL     1       2.842   1.212  -0.164  1.00  0.00           C  
HETATM   23  S   UNL     1       4.596   1.099  -0.012  1.00  0.00           S  
HETATM   24  N   UNL     1       2.406   0.060  -0.565  1.00  0.00           N  
HETATM   25  N   UNL     1       3.274  -0.837  -0.755  1.00  0.00           N  
HETATM   26  C   UNL     1       4.516  -0.531  -0.531  1.00  0.00           C  
HETATM   27  N   UNL     1       5.602  -1.387  -0.686  1.00  0.00           N  
HETATM   28  C   UNL     1       5.407  -2.654  -1.101  1.00  0.00           C  
HETATM   29  O   UNL     1       4.285  -3.049  -1.339  1.00  0.00           O  
HETATM   30  C   UNL     1       6.583  -3.581  -1.268  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.627  -3.633   2.817  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.906  -0.763   2.967  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.293  -0.027   2.806  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.808  -1.558   1.643  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.756  -1.530   0.155  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.436  -0.637  -0.700  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.875  -0.881  -2.408  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.767  -2.018  -1.602  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.763   1.166  -2.491  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.049   1.884  -1.574  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.205   2.656  -0.839  1.00  0.00           H  
HETATM   42  H   UNL     1       6.499  -1.071  -0.495  1.00  0.00           H  
HETATM   43  H   UNL     1       7.097  -3.693  -0.313  1.00  0.00           H  
HETATM   44  H   UNL     1       6.233  -4.556  -1.608  1.00  0.00           H  
HETATM   45  H   UNL     1       7.272  -3.166  -2.005  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   32   33                                       
CONECT    5   15    4    6                                            
CONECT    6    5   13    7    7                                       
CONECT    7    6    6    8   34                                       
CONECT    8    9    9    7   35                                       
CONECT    9   12   10    8    8                                       
CONECT   10    9   11                                                 
CONECT   11   10   36   37   38                                       
CONECT   12   13   13    9   39                                       
CONECT   13   14   12   12    6                                       
CONECT   14   15   15   13   40                                       
CONECT   15   16   14   14    5                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   41                                            
CONECT   19   20   20   22   21                                       
CONECT   19   21   18                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   24   24   23   19                                       
CONECT   23   26   22                                                 
CONECT   24   25   22   22                                            
CONECT   25   26   26   24                                            
CONECT   26   27   25   25   23                                       
CONECT   27   28   26   42                                            
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   43   44   45                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   27                                                      
CONECT   43   30                                                      
CONECT   44   30                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
