COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.110  -0.136   4.036  1.00  0.00           C  
HETATM    2  N   UNL     1       1.016  -0.095   5.358  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.158   0.039   5.966  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.296   0.134   5.305  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.265   0.038   1.183  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.067  -0.067   1.870  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.077  -0.032   3.276  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.307   0.109   3.963  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.496   0.213   3.233  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.463   0.177   1.868  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.189   0.075   7.348  1.00  0.00           N  
HETATM   12  N   UNL     1       2.334  -0.276   3.418  1.00  0.00           N  
HETATM   13  S   UNL     1       1.450  -0.244   0.993  1.00  0.00           S  
HETATM   14  C   UNL     1       0.872  -0.057  -0.660  1.00  0.00           C  
HETATM   15  C   UNL     1       0.755   1.210  -1.216  1.00  0.00           C  
HETATM   16  C   UNL     1       0.302   1.356  -2.512  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.037   0.236  -3.259  1.00  0.00           C  
HETATM   18  C   UNL     1       0.079  -1.031  -2.704  1.00  0.00           C  
HETATM   19  C   UNL     1       0.539  -1.178  -1.410  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.106  -0.894  -6.570  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.765  -0.966  -5.081  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.496   0.384  -4.573  1.00  0.00           N  
HETATM   23  C   UNL     1       0.627   0.914  -5.356  1.00  0.00           C  
HETATM   24  C   UNL     1       0.250   0.939  -6.838  1.00  0.00           C  
HETATM   25  O   UNL     1       0.013  -0.390  -7.298  1.00  0.00           O  
HETATM   26  H   UNL     1      -1.266   0.012   0.103  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.439   0.323   3.748  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.386   0.258   1.312  1.00  0.00           H  
HETATM   29  H   UNL     1       0.635   0.002   7.854  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.035   0.176   7.812  1.00  0.00           H  
HETATM   31  H   UNL     1       3.094   0.242   3.724  1.00  0.00           H  
HETATM   32  H   UNL     1       2.436  -0.893   2.676  1.00  0.00           H  
HETATM   33  H   UNL     1       1.018   2.081  -0.634  1.00  0.00           H  
HETATM   34  H   UNL     1       0.210   2.342  -2.944  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.184  -1.902  -3.285  1.00  0.00           H  
HETATM   36  H   UNL     1       0.630  -2.163  -0.978  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.356  -1.891  -6.934  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.960  -0.232  -6.715  1.00  0.00           H  
HETATM   39  H   UNL     1       0.118  -1.589  -4.941  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.604  -1.399  -4.537  1.00  0.00           H  
HETATM   41  H   UNL     1       0.857   1.926  -5.023  1.00  0.00           H  
HETATM   42  H   UNL     1       1.500   0.277  -5.214  1.00  0.00           H  
HETATM   43  H   UNL     1       1.065   1.381  -7.412  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.651   1.536  -6.973  1.00  0.00           H  
CONECT    1    2    2    7   12                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    8                                            
CONECT    5    6    6   10   26                                       
CONECT    6    5    5    7   13                                       
CONECT    7    1    6    8    8                                       
CONECT    8    4    7    7    9                                       
CONECT    9    8   10   10   27                                       
CONECT   10    5    9    9   28                                       
CONECT   11    3   29   30                                            
CONECT   12    1   31   32                                            
CONECT   13    6   14                                                 
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   33                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19   35                                       
CONECT   19   14   18   18   36                                       
CONECT   20   21   25   37   38                                       
CONECT   21   20   22   39   40                                       
CONECT   22   17   21   23                                            
CONECT   23   22   24   41   42                                       
CONECT   24   23   25   43   44                                       
CONECT   25   20   24                                                 
CONECT   26    5                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
