COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.308   0.701   0.783  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.172  -0.377   0.680  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.830  -1.104   1.631  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.234  -2.319   0.974  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.354  -1.937  -0.409  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.494  -0.890  -0.574  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.949  -0.319  -1.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.087   0.756  -1.602  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.768   1.266  -0.357  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.829   2.438  -0.243  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.412   1.938  -0.124  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.206   0.655  -0.135  1.00  0.00           N  
HETATM   13  C   UNL     1       1.037   0.126  -0.032  1.00  0.00           C  
HETATM   14  C   UNL     1       1.250  -1.255  -0.044  1.00  0.00           C  
HETATM   15  C   UNL     1       2.521  -1.745   0.062  1.00  0.00           C  
HETATM   16  S   UNL     1       2.783  -3.487   0.046  1.00  0.00           S  
HETATM   17  O   UNL     1       4.023  -3.713   0.702  1.00  0.00           O  
HETATM   18  O   UNL     1       1.562  -4.081   0.465  1.00  0.00           O  
HETATM   19  N   UNL     1       3.001  -3.935  -1.533  1.00  0.00           N  
HETATM   20  C   UNL     1       3.609  -0.891   0.183  1.00  0.00           C  
HETATM   21  C   UNL     1       3.433   0.465   0.198  1.00  0.00           C  
HETATM   22  C   UNL     1       2.148   0.993   0.091  1.00  0.00           C  
HETATM   23  C   UNL     1       1.891   2.436   0.100  1.00  0.00           C  
HETATM   24  N   UNL     1       2.650   3.508   0.195  1.00  0.00           N  
HETATM   25  N   UNL     1       0.591   2.850  -0.015  1.00  0.00           N  
HETATM   26  N   UNL     1       0.627   4.251   0.015  1.00  0.00           N  
HETATM   27  C   UNL     1       1.888   4.602   0.150  1.00  0.00           C  
HETATM   28  N   UNL     1       2.355   5.913   0.224  1.00  0.00           N  
HETATM   29  H   UNL     1      -3.060   1.103   1.754  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.474  -3.091   1.094  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.194  -2.663   1.360  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.197  -0.715  -2.686  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.662   1.199  -2.491  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.919   3.064  -1.131  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.083   3.023   0.641  1.00  0.00           H  
HETATM   36  H   UNL     1       0.413  -1.931  -0.137  1.00  0.00           H  
HETATM   37  H   UNL     1       4.604  -1.302   0.265  1.00  0.00           H  
HETATM   38  H   UNL     1       2.969  -3.267  -2.236  1.00  0.00           H  
HETATM   39  H   UNL     1       3.162  -4.866  -1.756  1.00  0.00           H  
HETATM   40  H   UNL     1       4.285   1.123   0.292  1.00  0.00           H  
HETATM   41  H   UNL     1       3.306   6.084   0.316  1.00  0.00           H  
HETATM   42  H   UNL     1       1.730   6.653   0.183  1.00  0.00           H  
CONECT    1    2    9    9   29                                       
CONECT    2    1    3    6    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   30   31                                       
CONECT    5    4    6                                                 
CONECT    6    2    2    5    7                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    1    1    8   10                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   22   22                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   20                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   38   39                                            
CONECT   20   15   21   21   37                                       
CONECT   21   20   20   22   40                                       
CONECT   22   13   13   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   27                                            
CONECT   25   11   23   26                                            
CONECT   26   25   27   27                                            
CONECT   27   24   26   26   28                                       
CONECT   28   27   41   42                                            
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   20                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
