COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.698   2.389  -0.095  1.00  0.00           C  
HETATM    2  C   UNL     1       1.356   2.739  -0.145  1.00  0.00           C  
HETATM    3  C   UNL     1       0.768   0.526  -0.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.273  -0.521   0.013  1.00  0.00           C  
HETATM    5  C   UNL     1       0.863   4.983   1.064  1.00  0.00           C  
HETATM    6  C   UNL     1       2.026   5.235   0.102  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.560  -1.164   0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.940  -0.983   0.106  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.372  -2.555   0.078  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.662   0.292   0.116  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.920  -2.537   0.161  1.00  0.00           C  
HETATM   12  C   UNL     1       6.422  -2.207  -0.195  1.00  0.00           C  
HETATM   13  N   UNL     1       5.549  -3.108   0.209  1.00  0.00           N  
HETATM   14  C   UNL     1       4.266  -2.808   0.319  1.00  0.00           C  
HETATM   15  C   UNL     1       3.844  -1.519   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.799  -0.598  -0.423  1.00  0.00           C  
HETATM   17  N   UNL     1       6.063  -0.978  -0.506  1.00  0.00           N  
HETATM   18  N   UNL     1       2.496  -1.160   0.102  1.00  0.00           N  
HETATM   19  C   UNL     1       2.127   0.171   0.018  1.00  0.00           C  
HETATM   20  N   UNL     1       3.055   1.121  -0.015  1.00  0.00           N  
HETATM   21  N   UNL     1       0.424   1.808  -0.108  1.00  0.00           N  
HETATM   22  C   UNL     1       0.962   4.190  -0.241  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.576  -0.175   0.041  1.00  0.00           N  
HETATM   24  O   UNL     1       0.044  -1.694   0.018  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.486  -2.241   0.126  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.550  -3.120   0.109  1.00  0.00           N  
HETATM   27  O   UNL     1      -4.773   0.921   1.152  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.204   0.768  -1.023  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.831   2.092  -1.038  1.00  0.00           C  
HETATM   30  H   UNL     1       3.455   3.159  -0.126  1.00  0.00           H  
HETATM   31  H   UNL     1       1.082   4.455   1.992  1.00  0.00           H  
HETATM   32  H   UNL     1       0.090   5.749   1.130  1.00  0.00           H  
HETATM   33  H   UNL     1       2.018   6.166  -0.465  1.00  0.00           H  
HETATM   34  H   UNL     1       3.011   4.873   0.398  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.421  -3.068   0.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.318  -2.530  -0.854  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.077  -3.520   0.606  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.432  -1.783   0.758  1.00  0.00           H  
HETATM   39  H   UNL     1       7.464  -2.484  -0.270  1.00  0.00           H  
HETATM   40  H   UNL     1       3.555  -3.551   0.650  1.00  0.00           H  
HETATM   41  H   UNL     1       4.512   0.411  -0.679  1.00  0.00           H  
HETATM   42  H   UNL     1       1.820  -1.843   0.231  1.00  0.00           H  
HETATM   43  H   UNL     1       0.254   4.433  -1.033  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.829   0.761   0.038  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.178   0.235  -1.832  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.656   2.111  -0.326  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.095   2.846  -0.760  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.209   2.304  -2.038  1.00  0.00           H  
CONECT    1   20    2    2   30                                       
CONECT    2    1    1   21   22                                       
CONECT    3   19   21   21    4                                       
CONECT    4    3   23   24   24                                       
CONECT    5   22    6   31   32                                       
CONECT    6   22    5   33   34                                       
CONECT    7   23    8    8    9                                       
CONECT    8    7    7   25   10                                       
CONECT    9    7   26   26   35                                       
CONECT   10    8   27   27   28                                       
CONECT   11   25   36   37   38                                       
CONECT   12   13   13   17   39                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16   18                                       
CONECT   16   15   17   17   41                                       
CONECT   17   12   16   16                                            
CONECT   18   15   19   42                                            
CONECT   19   18   20   20    3                                       
CONECT   20   19   19    1                                            
CONECT   21    2    3    3                                            
CONECT   22    2    5    6   43                                       
CONECT   23    4    7   44                                            
CONECT   24    4    4                                                 
CONECT   25    8   26   11                                            
CONECT   26   25    9    9                                            
CONECT   27   10   10                                                 
CONECT   28   10   29   45                                            
CONECT   29   28   46   47   48                                       
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
