COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.689  -0.562   0.057  1.00  0.00           O  
HETATM    2  C   UNL     1       2.016   0.586   0.269  1.00  0.00           C  
HETATM    3  C   UNL     1       3.475   0.964   0.285  1.00  0.00           C  
HETATM    4  O   UNL     1       4.270  -0.195   0.027  1.00  0.00           O  
HETATM    5  C   UNL     1       5.618  -0.026   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       6.164   1.230   0.230  1.00  0.00           C  
HETATM    7  C   UNL     1       7.535   1.402   0.210  1.00  0.00           C  
HETATM    8  C   UNL     1       8.366   0.325  -0.034  1.00  0.00           C  
HETATM    9  C   UNL     1       6.450  -1.110  -0.232  1.00  0.00           C  
HETATM   10  C   UNL     1       7.824  -0.933  -0.258  1.00  0.00           C  
HETATM   11  O   UNL     1       8.642  -1.993  -0.492  1.00  0.00           O  
HETATM   12  C   UNL     1      10.048  -1.738  -0.505  1.00  0.00           C  
HETATM   13  N   UNL     1       1.074   1.526   0.484  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.279   1.198   0.368  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.724  -0.060   0.758  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.057  -0.387   0.646  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.963   0.547   0.138  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.513   1.810  -0.253  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.179   2.132  -0.132  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.394   0.200   0.015  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.638   1.276  -0.604  1.00  0.00           S  
HETATM   22  C   UNL     1      -6.858   0.030  -0.356  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.231  -1.103   0.176  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.907  -0.938   0.343  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.230   0.025  -0.597  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.977  -1.096  -0.311  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.363  -2.223   0.217  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.023  -2.238   0.457  1.00  0.00           C  
HETATM   29  H   UNL     1       3.665   1.713  -0.484  1.00  0.00           H  
HETATM   30  H   UNL     1       3.734   1.372   1.262  1.00  0.00           H  
HETATM   31  H   UNL     1       5.517   2.073   0.421  1.00  0.00           H  
HETATM   32  H   UNL     1       7.958   2.381   0.383  1.00  0.00           H  
HETATM   33  H   UNL     1       9.437   0.462  -0.050  1.00  0.00           H  
HETATM   34  H   UNL     1       6.027  -2.089  -0.402  1.00  0.00           H  
HETATM   35  H   UNL     1      10.278  -1.013  -1.285  1.00  0.00           H  
HETATM   36  H   UNL     1      10.354  -1.340   0.463  1.00  0.00           H  
HETATM   37  H   UNL     1      10.584  -2.666  -0.702  1.00  0.00           H  
HETATM   38  H   UNL     1       1.336   2.430   0.719  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.023  -0.783   1.151  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.402  -1.364   0.949  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.211   2.535  -0.646  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.831   3.110  -0.430  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.709   0.902  -1.007  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.041  -1.098  -0.497  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.955  -3.098   0.439  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.562  -3.124   0.868  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    4    2   29   30                                       
CONECT    4    5    3                                                 
CONECT    5    9    4    6    6                                       
CONECT    6    5    5    7   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8   10    7    7   33                                       
CONECT    9   10   10    5   34                                       
CONECT   10   11    9    9    8                                       
CONECT   11   12   10                                                 
CONECT   12   11   35   36   37                                       
CONECT   13    2   14   38                                            
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17   19   41                                       
CONECT   19   14   14   18   42                                       
CONECT   20   24   24   17   21                                       
CONECT   21   20   22                                                 
CONECT   22   23   21   25   25                                       
CONECT   23   28   28   24   22                                       
CONECT   24   23   20   20                                            
CONECT   25   22   22   26   43                                       
CONECT   26   27   27   25   44                                       
CONECT   27   28   26   26   45                                       
CONECT   28   23   23   27   46                                       
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
