COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.370   2.329   1.292  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.313   1.106   1.235  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.340   0.722  -0.261  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.106   1.246  -0.799  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.938   2.539  -0.176  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.496   2.970  -0.242  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.384  -0.734  -0.413  1.00  0.00           N  
HETATM    8  O   UNL     1      -4.068   3.477   1.778  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.622   1.462   1.684  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.643   2.293  -0.970  1.00  0.00           C  
HETATM   11  C   UNL     1       0.800   2.724  -1.036  1.00  0.00           C  
HETATM   12  N   UNL     1       1.663   1.603  -0.656  1.00  0.00           N  
HETATM   13  C   UNL     1       3.001   1.757  -0.642  1.00  0.00           C  
HETATM   14  C   UNL     1       3.870   0.628  -0.259  1.00  0.00           C  
HETATM   15  C   UNL     1       5.261   0.784  -0.244  1.00  0.00           C  
HETATM   16  C   UNL     1       6.071  -0.288   0.119  1.00  0.00           C  
HETATM   17  C   UNL     1       5.500  -1.501   0.462  1.00  0.00           C  
HETATM   18  C   UNL     1       4.123  -1.656   0.447  1.00  0.00           C  
HETATM   19  C   UNL     1       3.308  -0.602   0.096  1.00  0.00           C  
HETATM   20  N   UNL     1       3.524  -2.958   0.816  1.00  0.00           N1+
HETATM   21  O   UNL     1       5.818   1.975  -0.582  1.00  0.00           O  
HETATM   22  O   UNL     1       7.423  -0.144   0.135  1.00  0.00           O  
HETATM   23  O   UNL     1       3.493   2.827  -0.946  1.00  0.00           O  
HETATM   24  O   UNL     1       4.241  -3.890   1.132  1.00  0.00           O  
HETATM   25  O   UNL     1       2.314  -3.097   0.804  1.00  0.00           O1-
HETATM   26  C   UNL     1      -5.480  -1.309  -0.969  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.552  -2.650  -1.122  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.468  -3.454  -0.697  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.327  -1.477  -0.001  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.340  -2.822  -0.122  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.505  -4.669  -0.823  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.504   2.114   1.918  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.913   0.287   1.832  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.195   1.183  -0.756  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.579   3.278  -0.658  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.166   3.837   0.310  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.523   4.274   1.835  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.654   1.769   2.600  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.973   1.426  -1.523  1.00  0.00           H  
HETATM   40  H   UNL     1       1.039   3.038  -2.052  1.00  0.00           H  
HETATM   41  H   UNL     1       0.962   3.556  -0.351  1.00  0.00           H  
HETATM   42  H   UNL     1       1.270   0.749  -0.414  1.00  0.00           H  
HETATM   43  H   UNL     1       6.130  -2.332   0.743  1.00  0.00           H  
HETATM   44  H   UNL     1       2.236  -0.727   0.090  1.00  0.00           H  
HETATM   45  H   UNL     1       5.941   2.578   0.164  1.00  0.00           H  
HETATM   46  H   UNL     1       7.776   0.155   0.985  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.303  -0.690  -1.291  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.427  -3.102  -1.565  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.468  -0.987   0.433  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.497  -3.408   0.212  1.00  0.00           H  
CONECT    1    2    5    8   32                                       
CONECT    2    1    3    9   33                                       
CONECT    3    2    4    7   34                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    6   35                                       
CONECT    6    5   10   10   36                                       
CONECT    7    3   26   29                                            
CONECT    8    1   37                                                 
CONECT    9    2   38                                                 
CONECT   10    6    6   11   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   42                                            
CONECT   13   12   14   23   23                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   21                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17   19   19   20                                       
CONECT   19   14   18   18   44                                       
CONECT   20   18   24   24   25                                       
CONECT   21   15   45                                                 
CONECT   22   16   46                                                 
CONECT   23   13   13                                                 
CONECT   24   20   20                                                 
CONECT   25   20                                                      
CONECT   26    7   27   27   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   27   30   31   31                                       
CONECT   29    7   30   30   49                                       
CONECT   30   28   29   29   50                                       
CONECT   31   28   28                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
