COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.172   3.252  -0.130  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.307   2.020  -0.403  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.186   2.392  -1.207  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.813   1.439   0.924  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.119   2.484   1.687  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.864   0.301   0.651  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.596   0.443   0.422  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.033  -0.785   0.217  1.00  0.00           C  
HETATM    9  C   UNL     1       1.295  -1.059  -0.057  1.00  0.00           C  
HETATM   10  C   UNL     1       2.230  -0.003  -0.149  1.00  0.00           C  
HETATM   11  C   UNL     1       1.951   1.342  -0.298  1.00  0.00           C  
HETATM   12  N   UNL     1       3.110   2.040  -0.348  1.00  0.00           N  
HETATM   13  C   UNL     1       4.194   1.192  -0.235  1.00  0.00           C  
HETATM   14  C   UNL     1       5.569   1.407  -0.230  1.00  0.00           C  
HETATM   15  C   UNL     1       6.435   0.343  -0.099  1.00  0.00           C  
HETATM   16  C   UNL     1       5.953  -0.950   0.028  1.00  0.00           C  
HETATM   17  C   UNL     1       4.588  -1.188   0.024  1.00  0.00           C  
HETATM   18  N   UNL     1       4.101  -2.490   0.152  1.00  0.00           N  
HETATM   19  C   UNL     1       3.702  -0.114  -0.101  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.128  -1.754   0.347  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.060  -2.966   0.237  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.227  -1.016   0.619  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.578  -1.539   0.840  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.310  -1.611  -0.475  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.760  -1.261  -1.493  1.00  0.00           O  
HETATM   26  H   UNL     1      -4.524   3.666  -1.075  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.027   2.968   0.483  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.580   4.001   0.397  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.899   1.271  -0.930  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.425   2.769  -2.065  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.664   1.073   1.499  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.326   2.840   1.174  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.751   3.230   1.938  1.00  0.00           H  
HETATM   34  H   UNL     1       1.618  -2.080  -0.200  1.00  0.00           H  
HETATM   35  H   UNL     1       0.961   1.769  -0.364  1.00  0.00           H  
HETATM   36  H   UNL     1       3.171   3.003  -0.449  1.00  0.00           H  
HETATM   37  H   UNL     1       5.958   2.410  -0.328  1.00  0.00           H  
HETATM   38  H   UNL     1       7.501   0.518  -0.095  1.00  0.00           H  
HETATM   39  H   UNL     1       6.643  -1.775   0.128  1.00  0.00           H  
HETATM   40  H   UNL     1       4.706  -3.214   0.375  1.00  0.00           H  
HETATM   41  H   UNL     1       3.157  -2.670   0.019  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.515  -2.536   1.276  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.117  -0.879   1.520  1.00  0.00           H  
HETATM   44  O   UNL     1      -5.573  -2.063  -0.517  1.00  0.00           O  
HETATM   45  H   UNL     1      -6.001  -2.091  -1.383  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3    4   29                                       
CONECT    3    2   30                                                 
CONECT    4    2    5    6   31                                       
CONECT    5    4   32   33                                            
CONECT    6    4    7    7   22                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   20                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   11   19                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   36                                            
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   40   41                                            
CONECT   19   10   13   17   17                                       
CONECT   20    8   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22    6   20   23                                            
CONECT   23   22   24   42   43                                       
CONECT   24   23   25   25   44                                       
CONECT   25   24   24                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24   45                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
