COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.051  -0.654   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.609   3.395  -0.708  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.351   0.999  -1.559  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.216  -1.040  -0.420  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.274  -2.296  -0.659  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.712  -0.915  -0.249  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.333   0.284   0.517  1.00  0.00           C  
HETATM    8  C   UNL     1       1.052  -2.356  -0.790  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.508   1.546   1.448  1.00  0.00           N  
HETATM   10  O   UNL     1       4.912   0.670  -0.366  1.00  0.00           O  
HETATM   11  C   UNL     1       3.023  -1.052  -0.405  1.00  0.00           C  
HETATM   12  C   UNL     1       2.366  -0.353   0.590  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.457   1.357   0.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.534   2.253  -0.629  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.492   2.056  -1.630  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.282   0.102  -0.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.856  -2.310  -0.496  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.060  -3.217  -0.392  1.00  0.00           C  
HETATM   19  C   UNL     1       0.395  -1.657   0.206  1.00  0.00           C  
HETATM   20  C   UNL     1       2.365  -2.052  -1.097  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.839  -0.603   2.616  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.685   4.253  -1.745  1.00  0.00           O  
HETATM   23  O   UNL     1       0.222   3.564   0.162  1.00  0.00           O  
HETATM   24  O   UNL     1       1.220   0.754   3.021  1.00  0.00           O  
HETATM   25  O   UNL     1       4.911  -1.104  -2.127  1.00  0.00           O  
HETATM   26  S   UNL     1       0.213   0.238   2.162  1.00  0.00           S  
HETATM   27  S   UNL     1       4.699  -0.669  -0.791  1.00  0.00           S  
HETATM   28  O   UNL     1       5.576  -1.545   0.091  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.091   0.855  -2.333  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.121  -2.575  -0.033  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.958  -0.699   0.791  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.280  -0.408   1.344  1.00  0.00           H  
HETATM   33  H   UNL     1       0.540  -3.141  -1.327  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.268   2.444   1.725  1.00  0.00           H  
HETATM   35  H   UNL     1       2.879   0.428   1.131  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.552   2.743  -2.461  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.839  -2.653  -0.616  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.124  -3.649   0.607  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.009  -4.004  -1.144  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.631  -1.895   0.446  1.00  0.00           H  
HETATM   41  H   UNL     1       2.878  -2.598  -1.874  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.056   4.987  -1.753  1.00  0.00           H  
HETATM   43  H   UNL     1       6.525  -1.413  -0.043  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.105  -0.136  -0.902  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.549  -2.309  -1.714  1.00  0.00           H  
CONECT    1   19   19   12   26                                       
CONECT    2   23   23   14   22                                       
CONECT    3   15   15   16   29                                       
CONECT    4    6   16   17   17                                       
CONECT    5    6   18   30   45                                       
CONECT    6    5    4   31   44                                       
CONECT    7   16   16   13   32                                       
CONECT    8   20   20   19   33                                       
CONECT    9   13   26   34                                            
CONECT   10   27   27                                                 
CONECT   11   20   27   12   12                                       
CONECT   12   11   11    1   35                                       
CONECT   13   14   14    7    9                                       
CONECT   14   15    2   13   13                                       
CONECT   15    3    3   14   36                                       
CONECT   16    3    4    7    7                                       
CONECT   17    4    4   18   37                                       
CONECT   18    5   17   38   39                                       
CONECT   19    8    1    1   40                                       
CONECT   20    8    8   11   41                                       
CONECT   21   26   26                                                 
CONECT   22    2   42                                                 
CONECT   23    2    2                                                 
CONECT   24   26   26                                                 
CONECT   25   27   27                                                 
CONECT   26    1    9   24   24                                       
CONECT   26   21   21                                                 
CONECT   27   25   25   11   10                                       
CONECT   27   10   28                                                 
CONECT   28   27   43                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   28                                                      
CONECT   44    6                                                      
CONECT   45    5                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
