COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.010   0.301  -0.313  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.417  -0.049  -0.054  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.542  -0.755   0.173  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.857  -0.079   0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.165   1.916  -0.132  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.024  -0.808   0.380  1.00  0.00           C  
HETATM    7  C   UNL     1       1.416  -1.334  -1.390  1.00  0.00           C  
HETATM    8  C   UNL     1       2.392   0.607  -0.320  1.00  0.00           C  
HETATM    9  C   UNL     1       3.718  -0.103  -0.041  1.00  0.00           C  
HETATM   10  C   UNL     1       4.859   0.915  -0.077  1.00  0.00           C  
HETATM   11  C   UNL     1       6.166   0.216   0.198  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.114  -0.719  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.935   1.291  -0.108  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.319   1.187   0.096  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.248  -0.171   0.354  1.00  0.00           C  
HETATM   16  N   UNL     1       1.296  -0.371  -0.286  1.00  0.00           N  
HETATM   17  N   UNL     1       7.315   0.919   0.217  1.00  0.00           N  
HETATM   18  O   UNL     1       6.182  -0.980   0.402  1.00  0.00           O  
HETATM   19  O   UNL     1       8.543   0.261   0.475  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.476  -1.948   0.399  1.00  0.00           O  
HETATM   21  H   UNL     1      -0.171   0.744  -1.296  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.032   1.082   0.446  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.469   0.902  -0.234  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.227   2.976  -0.328  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.970  -1.867   0.581  1.00  0.00           H  
HETATM   26  H   UNL     1       1.311  -0.812  -2.341  1.00  0.00           H  
HETATM   27  H   UNL     1       2.392  -1.817  -1.346  1.00  0.00           H  
HETATM   28  H   UNL     1       0.633  -2.087  -1.301  1.00  0.00           H  
HETATM   29  H   UNL     1       2.221   1.370   0.440  1.00  0.00           H  
HETATM   30  H   UNL     1       2.430   1.076  -1.304  1.00  0.00           H  
HETATM   31  H   UNL     1       3.680  -0.572   0.942  1.00  0.00           H  
HETATM   32  H   UNL     1       3.888  -0.866  -0.801  1.00  0.00           H  
HETATM   33  H   UNL     1       4.898   1.384  -1.060  1.00  0.00           H  
HETATM   34  H   UNL     1       4.689   1.678   0.683  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.092  -1.501  -0.786  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.953  -1.163   0.956  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.035   1.861  -0.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.279   1.681   0.076  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.152  -0.734   0.530  1.00  0.00           H  
HETATM   40  H   UNL     1       7.302   1.875   0.054  1.00  0.00           H  
HETATM   41  H   UNL     1       9.312   0.848   0.468  1.00  0.00           H  
CONECT    1   12   16   21   22                                       
CONECT    2    3   12   23                                            
CONECT    3    4    2   20   20                                       
CONECT    4   13   13    6    3                                       
CONECT    5   14   14   13   24                                       
CONECT    6   15   15    4   25                                       
CONECT    7   16   26   27   28                                       
CONECT    8    9   16   29   30                                       
CONECT    9   10    8   31   32                                       
CONECT   10   11    9   33   34                                       
CONECT   11   18   18   17   10                                       
CONECT   12    2    1   35   36                                       
CONECT   13    5    4    4   37                                       
CONECT   14    5    5   15   38                                       
CONECT   15   14    6    6   39                                       
CONECT   16    7    1    8                                            
CONECT   17   19   11   40                                            
CONECT   18   11   11                                                 
CONECT   19   17   41                                                 
CONECT   20    3    3                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
