COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.507   2.876  -0.055  1.00  0.00           C  
HETATM    2  C   UNL     1       1.074   0.517  -0.089  1.00  0.00           C  
HETATM    3  C   UNL     1       1.439  -0.842  -0.084  1.00  0.00           C  
HETATM    4  N   UNL     1       1.969   1.486  -0.045  1.00  0.00           N1+
HETATM    5  C   UNL     1       3.280   1.243   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       3.754  -0.093   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1       2.781  -1.186  -0.031  1.00  0.00           C  
HETATM    8  C   UNL     1       4.211   2.297   0.054  1.00  0.00           C  
HETATM    9  C   UNL     1       5.129  -0.342   0.074  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.353   0.869  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1       5.543   2.019   0.108  1.00  0.00           C  
HETATM   12  C   UNL     1       6.003   0.704   0.119  1.00  0.00           C  
HETATM   13  C   UNL     1       3.213  -2.600  -0.022  1.00  0.00           C  
HETATM   14  O   UNL     1       4.386  -2.877   0.129  1.00  0.00           O  
HETATM   15  N   UNL     1       2.304  -3.583  -0.183  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.287  -0.097  -0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.714   0.261  -0.051  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.687  -0.742   0.002  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.100   1.605  -0.049  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.025  -0.400   0.049  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.437   1.938  -0.001  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.402   0.942   0.045  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.719   1.275   0.091  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.974  -1.373   0.101  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.516  -2.727   0.102  1.00  0.00           C  
HETATM   26  H   UNL     1       1.267   3.186   0.962  1.00  0.00           H  
HETATM   27  H   UNL     1       2.293   3.517  -0.454  1.00  0.00           H  
HETATM   28  H   UNL     1       0.618   2.959  -0.680  1.00  0.00           H  
HETATM   29  H   UNL     1       0.681  -1.611  -0.120  1.00  0.00           H  
HETATM   30  H   UNL     1       3.871   3.322   0.047  1.00  0.00           H  
HETATM   31  H   UNL     1       5.497  -1.358   0.082  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.650   1.904  -0.239  1.00  0.00           H  
HETATM   33  H   UNL     1       6.254   2.831   0.143  1.00  0.00           H  
HETATM   34  H   UNL     1       7.064   0.511   0.162  1.00  0.00           H  
HETATM   35  H   UNL     1       1.367  -3.362  -0.304  1.00  0.00           H  
HETATM   36  H   UNL     1       2.587  -4.511  -0.177  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.990  -1.135  -0.099  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.394  -1.781   0.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.351   2.382  -0.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.734   2.976   0.001  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.133   1.364  -0.778  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.878  -2.893   0.970  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.372  -3.400   0.145  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.948  -2.919  -0.808  1.00  0.00           H  
CONECT    1    4   26   27   28                                       
CONECT    2    3   10    4    4                                       
CONECT    3    7    7    2   29                                       
CONECT    4    2    2    5    1                                       
CONECT    5    6    8    8    4                                       
CONECT    6    7    9    9    5                                       
CONECT    7   13    3    3    6                                       
CONECT    8   11    5    5   30                                       
CONECT    9    6    6   12   31                                       
CONECT   10   16   16    2   32                                       
CONECT   11   12   12    8   33                                       
CONECT   12    9   11   11   34                                       
CONECT   13   15    7   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   35   36                                            
CONECT   16   17   10   10   37                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17   20   38                                       
CONECT   19   21   21   17   39                                       
CONECT   20   22   22   18   24                                       
CONECT   21   19   19   22   40                                       
CONECT   22   21   23   20   20                                       
CONECT   23   22   41                                                 
CONECT   24   20   25                                                 
CONECT   25   24   42   43   44                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
