COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.111  -2.208   0.639  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.439  -0.937  -0.630  1.00  0.00           N  
HETATM    3  C   UNL     1       5.088  -1.035   0.390  1.00  0.00           C  
HETATM    4  C   UNL     1       5.799  -2.208   0.689  1.00  0.00           C  
HETATM    5  C   UNL     1       5.135   1.318  -0.267  1.00  0.00           C  
HETATM    6  C   UNL     1       3.772   1.346  -0.223  1.00  0.00           C  
HETATM    7  C   UNL     1       3.038   0.194   0.126  1.00  0.00           C  
HETATM    8  C   UNL     1       1.557   0.251   0.167  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.232   0.368   0.249  1.00  0.00           C  
HETATM   10  C   UNL     1       0.804  -0.716  -0.487  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.334  -0.101  -0.066  1.00  0.00           C  
HETATM   12  C   UNL     1       3.913   3.630  -0.864  1.00  0.00           C  
HETATM   13  C   UNL     1       7.817  -1.135   0.313  1.00  0.00           C  
HETATM   14  C   UNL     1       7.222   0.052   0.006  1.00  0.00           C  
HETATM   15  C   UNL     1       5.818   0.132   0.038  1.00  0.00           C  
HETATM   16  C   UNL     1       3.686  -0.988   0.430  1.00  0.00           C  
HETATM   17  O   UNL     1       3.114   2.496  -0.518  1.00  0.00           O  
HETATM   18  C   UNL     1       0.913   1.275   0.868  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.444   1.336   0.911  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.585  -0.659  -0.447  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.575   0.276   0.187  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.083  -0.706  -0.475  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.810  -1.708  -1.156  1.00  0.00           S  
HETATM   24  N   UNL     1      -6.654  -0.326  -0.216  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.627   0.583   0.396  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.023   0.112   0.080  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.807  -0.095   0.974  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.950   0.856   0.578  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.746  -1.700  -1.144  1.00  0.00           H  
HETATM   30  H   UNL     1       5.268  -3.108   0.960  1.00  0.00           H  
HETATM   31  H   UNL     1       5.687   2.207  -0.536  1.00  0.00           H  
HETATM   32  H   UNL     1       1.296  -1.511  -1.027  1.00  0.00           H  
HETATM   33  H   UNL     1       3.265   4.480  -1.076  1.00  0.00           H  
HETATM   34  H   UNL     1       4.574   3.875  -0.033  1.00  0.00           H  
HETATM   35  H   UNL     1       4.509   3.398  -1.747  1.00  0.00           H  
HETATM   36  H   UNL     1       8.895  -1.202   0.291  1.00  0.00           H  
HETATM   37  H   UNL     1       7.817   0.914  -0.256  1.00  0.00           H  
HETATM   38  H   UNL     1       3.119  -1.867   0.697  1.00  0.00           H  
HETATM   39  H   UNL     1       1.498   2.023   1.380  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.926   2.134   1.458  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.961  -1.089  -0.731  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.483   0.594   1.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.484   1.588   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.321  -0.041  -0.947  1.00  0.00           H  
CONECT    1   13   13    4                                            
CONECT    2   22   11   29                                            
CONECT    3   15    4    4   16                                       
CONECT    4    3    3    1   30                                       
CONECT    5   15    6    6   31                                       
CONECT    6    5    5   17    7                                       
CONECT    7    6   16   16    8                                       
CONECT    8    7   10   10   18                                       
CONECT    9   20   20   19   21                                       
CONECT   10    8    8   20   32                                       
CONECT   11   28   28    2   24                                       
CONECT   12   17   33   34   35                                       
CONECT   13   14    1    1   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   14   14    5    3                                       
CONECT   16    3    7    7   38                                       
CONECT   17   12    6                                                 
CONECT   18    8   19   19   39                                       
CONECT   19   18   18    9   40                                       
CONECT   20   10   23    9    9                                       
CONECT   21    9   22   22                                            
CONECT   22   23   21   21    2                                       
CONECT   23   20   22                                                 
CONECT   24   11   25   41                                            
CONECT   25   24   26   42   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26                                                 
CONECT   28   11   11                                                 
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
