COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.288   0.467  -0.085  1.00  0.00           C  
HETATM    2  C   UNL     1       3.647   0.759   0.024  1.00  0.00           C  
HETATM    3  C   UNL     1       1.868  -0.860  -0.161  1.00  0.00           C  
HETATM    4  C   UNL     1       4.575  -0.268   0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       2.795  -1.880  -0.127  1.00  0.00           C  
HETATM    6  C   UNL     1       4.149  -1.591  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       1.293   1.564  -0.114  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.072   1.282  -0.112  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.848   0.753  -0.111  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.378   0.783  -0.118  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.729  -2.559  -1.241  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.244  -1.265  -1.268  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.068  -1.280   1.120  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.846   1.492   1.031  1.00  0.00           O  
HETATM   15  C   UNL     1       6.771  -1.028   0.561  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.966   2.351  -0.140  1.00  0.00           C  
HETATM   17  C   UNL     1       0.811   3.819  -0.167  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.885  -3.214  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.554  -2.574   1.147  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.908  -0.628  -0.088  1.00  0.00           C  
HETATM   21  C   UNL     1       6.412  -2.281  -0.249  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.487   3.593  -0.167  1.00  0.00           N  
HETATM   23  N   UNL     1       1.689   2.838  -0.136  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.333   2.124  -0.140  1.00  0.00           N  
HETATM   25  O   UNL     1       5.046  -2.613   0.021  1.00  0.00           O  
HETATM   26  O   UNL     1       5.898   0.033   0.157  1.00  0.00           O  
HETATM   27  H   UNL     1       3.976   1.786   0.083  1.00  0.00           H  
HETATM   28  H   UNL     1       0.816  -1.089  -0.246  1.00  0.00           H  
HETATM   29  H   UNL     1       2.467  -2.908  -0.185  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.427   0.263  -0.091  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.498   0.252   0.791  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.491   0.212  -0.988  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.728   1.283  -1.021  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.992  -3.057  -2.163  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.127  -0.752  -2.211  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.806  -0.783   2.042  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.571   1.101   1.872  1.00  0.00           H  
HETATM   38  H   UNL     1       6.638  -1.227   1.625  1.00  0.00           H  
HETATM   39  H   UNL     1       7.806  -0.748   0.366  1.00  0.00           H  
HETATM   40  H   UNL     1       1.165   4.839  -0.185  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.264  -4.224  -0.012  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.676  -3.086   2.090  1.00  0.00           H  
HETATM   43  H   UNL     1       6.538  -2.079  -1.313  1.00  0.00           H  
HETATM   44  H   UNL     1       7.058  -3.108   0.047  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.949   2.873  -0.160  1.00  0.00           H  
CONECT    1    7    3    3    2                                       
CONECT    2    1    4    4   27                                       
CONECT    3    1    1    5   28                                       
CONECT    4    2    2    6   26                                       
CONECT    5    3    6    6   29                                       
CONECT    6    5    5    4   25                                       
CONECT    7   23   23    8    1                                       
CONECT    8   16   16    7   30                                       
CONECT    9   10   24   31   32                                       
CONECT   10   20    9   14   33                                       
CONECT   11   18   12   12   34                                       
CONECT   12   11   11   20   35                                       
CONECT   13   19   20   20   36                                       
CONECT   14   10   37                                                 
CONECT   15   26   21   38   39                                       
CONECT   16   22   24    8    8                                       
CONECT   17   22   22   23   40                                       
CONECT   18   19   19   11   41                                       
CONECT   19   18   18   13   42                                       
CONECT   20   13   13   12   10                                       
CONECT   21   25   15   43   44                                       
CONECT   22   17   17   16                                            
CONECT   23   17    7    7                                            
CONECT   24    9   16   45                                            
CONECT   25    6   21                                                 
CONECT   26    4   15                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
