COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.042   0.760   0.543  1.00  0.00           C  
HETATM    2  C   UNL     1       0.937   0.405  -0.269  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.228   1.206  -0.197  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.225   2.245   0.628  1.00  0.00           N  
HETATM    5  C   UNL     1       0.832   2.538   1.368  1.00  0.00           C  
HETATM    6  N   UNL     1       1.938   1.833   1.342  1.00  0.00           N  
HETATM    7  C   UNL     1       3.264  -1.104  -0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       2.164  -1.448  -1.147  1.00  0.00           C  
HETATM    9  C   UNL     1       1.020  -0.709  -1.112  1.00  0.00           C  
HETATM   10  C   UNL     1       3.213  -0.013   0.487  1.00  0.00           C  
HETATM   11  O   UNL     1       4.289   0.315   1.251  1.00  0.00           O  
HETATM   12  C   UNL     1       5.239   1.218   0.680  1.00  0.00           C  
HETATM   13  O   UNL     1       4.393  -1.860  -0.415  1.00  0.00           O  
HETATM   14  C   UNL     1       4.379  -2.984  -1.296  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.337   0.913  -0.962  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.533   1.754  -0.872  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.384   2.955  -1.809  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.762   0.939  -1.278  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.980  -0.171  -0.283  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.802  -0.132   0.786  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.711  -1.364   1.446  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.862  -2.116   0.793  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.390  -1.389  -0.306  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.469  -3.524   1.155  1.00  0.00           C  
HETATM   25  H   UNL     1       0.783   3.395   2.023  1.00  0.00           H  
HETATM   26  H   UNL     1       2.225  -2.305  -1.802  1.00  0.00           H  
HETATM   27  H   UNL     1       0.179  -0.983  -1.732  1.00  0.00           H  
HETATM   28  H   UNL     1       6.045   1.395   1.392  1.00  0.00           H  
HETATM   29  H   UNL     1       5.648   0.785  -0.233  1.00  0.00           H  
HETATM   30  H   UNL     1       4.747   2.162   0.446  1.00  0.00           H  
HETATM   31  H   UNL     1       4.205  -2.643  -2.317  1.00  0.00           H  
HETATM   32  H   UNL     1       5.338  -3.499  -1.244  1.00  0.00           H  
HETATM   33  H   UNL     1       3.583  -3.668  -1.001  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.325   0.150  -1.561  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.653   2.106   0.153  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.274   3.581  -1.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.508   3.535  -1.520  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.264   2.603  -2.834  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.638   1.587  -1.297  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.604   0.513  -2.269  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.358   0.618   1.051  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.677  -1.737  -1.038  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.602  -3.501   1.815  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.299  -4.014   1.664  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.221  -4.077   0.249  1.00  0.00           H  
CONECT    1   10    6    6    2                                       
CONECT    2    1    9    3    3                                       
CONECT    3    2    2    4   15                                       
CONECT    4    5    5    3                                            
CONECT    5    6    4    4   25                                       
CONECT    6    1    1    5                                            
CONECT    7   13   10   10    8                                       
CONECT    8    7    9    9   26                                       
CONECT    9    8    8    2   27                                       
CONECT   10   11    7    7    1                                       
CONECT   11   12   10                                                 
CONECT   12   11   28   29   30                                       
CONECT   13   14    7                                                 
CONECT   14   13   31   32   33                                       
CONECT   15    3   16   34                                            
CONECT   16   15   18   17   35                                       
CONECT   17   16   36   37   38                                       
CONECT   18   19   16   39   40                                       
CONECT   19   23   23   20   18                                       
CONECT   20   21   19   41                                            
CONECT   21   22   22   20                                            
CONECT   22   24   23   21   21                                       
CONECT   23   22   19   19   42                                       
CONECT   24   22   43   44   45                                       
CONECT   25    5                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
