COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.110  -2.663  -0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.756  -2.394  -0.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.281  -1.150   0.272  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.435   0.510   1.200  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.176  -0.181   0.719  1.00  0.00           C  
HETATM    6  C   UNL     1       0.173  -0.859   0.235  1.00  0.00           C  
HETATM    7  N   UNL     1       5.221   0.728   0.325  1.00  0.00           N  
HETATM    8  C   UNL     1       0.644   0.391   0.656  1.00  0.00           C  
HETATM    9  C   UNL     1       1.977   0.672   0.628  1.00  0.00           C  
HETATM   10  C   UNL     1       2.885  -0.292   0.177  1.00  0.00           C  
HETATM   11  C   UNL     1       4.340  -0.317   0.022  1.00  0.00           C  
HETATM   12  N   UNL     1       4.669  -1.490  -0.450  1.00  0.00           N  
HETATM   13  C   UNL     1       6.546   0.569   0.133  1.00  0.00           C  
HETATM   14  C   UNL     1       7.494   1.694   0.459  1.00  0.00           C  
HETATM   15  C   UNL     1       8.986   1.452   0.219  1.00  0.00           C  
HETATM   16  N   UNL     1       3.524  -2.273  -0.628  1.00  0.00           N  
HETATM   17  O   UNL     1      -6.455  -0.440   0.146  1.00  0.00           O  
HETATM   18  S   UNL     1      -5.818   0.815   0.341  1.00  0.00           S  
HETATM   19  O   UNL     1      -6.451   1.917   0.977  1.00  0.00           O  
HETATM   20  N   UNL     1      -5.357   1.343  -1.160  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.275   0.397  -2.276  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.031   2.755  -1.371  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.534  -0.459   0.752  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.999  -1.700   0.334  1.00  0.00           C  
HETATM   25  C   UNL     1       1.059  -1.829  -0.211  1.00  0.00           C  
HETATM   26  C   UNL     1       2.421  -1.552  -0.248  1.00  0.00           C  
HETATM   27  O   UNL     1       6.974  -0.479  -0.301  1.00  0.00           O  
HETATM   28  C   UNL     1       8.203   2.381  -0.710  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.476  -3.628  -0.423  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.065  -3.148  -0.487  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.251   1.005   2.014  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.812   0.783   1.044  1.00  0.00           H  
HETATM   33  H   UNL     1       4.878   1.566   0.672  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.054   1.137   1.005  1.00  0.00           H  
HETATM   35  H   UNL     1       2.331   1.639   0.954  1.00  0.00           H  
HETATM   36  H   UNL     1       7.215   2.312   1.312  1.00  0.00           H  
HETATM   37  H   UNL     1       9.688   1.911   0.915  1.00  0.00           H  
HETATM   38  H   UNL     1       9.281   0.479  -0.173  1.00  0.00           H  
HETATM   39  H   UNL     1       3.512  -3.182  -0.967  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.236   0.354  -2.787  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.506   0.726  -2.975  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.021  -0.592  -1.895  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.232   3.315  -0.458  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.977   2.850  -1.630  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.642   3.152  -2.182  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.057  -1.914   0.356  1.00  0.00           H  
HETATM   47  H   UNL     1       0.692  -2.794  -0.530  1.00  0.00           H  
HETATM   48  H   UNL     1       7.983   2.020  -1.715  1.00  0.00           H  
HETATM   49  H   UNL     1       8.390   3.451  -0.626  1.00  0.00           H  
CONECT    1   24   24    2   29                                       
CONECT    2    3    3    1   30                                       
CONECT    3    5    6    2    2                                       
CONECT    4   18   23   31                                            
CONECT    5   23   23    3   32                                       
CONECT    6    8    3   25   25                                       
CONECT    7   13   11   33                                            
CONECT    8    9    9    6   34                                       
CONECT    9    8    8   10   35                                       
CONECT   10    9   11   26   26                                       
CONECT   11    7   10   12   12                                       
CONECT   12   11   11   16                                            
CONECT   13   14    7   27   27                                       
CONECT   14   28   15   13   36                                       
CONECT   15   28   14   37   38                                       
CONECT   16   12   26   39                                            
CONECT   17   18   18                                                 
CONECT   18   17   17   19   19                                       
CONECT   18    4   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   40   41   42                                       
CONECT   22   20   43   44   45                                       
CONECT   23    4    5    5   24                                       
CONECT   24   23    1    1   46                                       
CONECT   25    6    6   26   47                                       
CONECT   26   10   10   25   16                                       
CONECT   27   13   13                                                 
CONECT   28   14   15   48   49                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
