COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.017   3.496   1.224  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.048   2.324   0.278  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.489   2.462  -0.844  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.586   1.123   0.677  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.616  -0.017  -0.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.968  -0.678  -0.180  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.823  -0.240   0.561  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.228  -1.755  -0.946  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.544  -2.398  -0.885  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.536  -1.025   0.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.155  -0.393  -0.026  1.00  0.00           C  
HETATM   12  C   UNL     1       0.924  -1.400   0.374  1.00  0.00           C  
HETATM   13  N   UNL     1       2.247  -0.795   0.198  1.00  0.00           N  
HETATM   14  C   UNL     1       3.378  -1.516   0.497  1.00  0.00           C  
HETATM   15  N   UNL     1       3.273  -2.698   1.035  1.00  0.00           N  
HETATM   16  N   UNL     1       4.625  -0.988   0.227  1.00  0.00           N  
HETATM   17  C   UNL     1       4.737   0.274  -0.230  1.00  0.00           C  
HETATM   18  O   UNL     1       3.740   0.914  -0.501  1.00  0.00           O  
HETATM   19  N   UNL     1       5.956   0.828  -0.388  1.00  0.00           N  
HETATM   20  C   UNL     1       6.078   2.201  -0.885  1.00  0.00           C  
HETATM   21  H   UNL     1      -3.429   4.375   0.728  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.612   3.266   2.108  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.987   3.696   1.522  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.233   1.013   1.574  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.429   0.331  -1.259  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.545  -2.105  -1.539  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.312  -1.680  -1.170  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.566  -3.246  -1.570  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.731  -2.746   0.131  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.671  -1.306   1.202  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.616  -1.912  -0.471  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.020  -0.111  -1.071  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.075   0.495   0.602  1.00  0.00           H  
HETATM   34  H   UNL     1       0.789  -1.681   1.419  1.00  0.00           H  
HETATM   35  H   UNL     1       0.844  -2.287  -0.254  1.00  0.00           H  
HETATM   36  H   UNL     1       2.324   0.115  -0.129  1.00  0.00           H  
HETATM   37  H   UNL     1       4.070  -3.177   1.312  1.00  0.00           H  
HETATM   38  H   UNL     1       5.420  -1.526   0.366  1.00  0.00           H  
HETATM   39  H   UNL     1       6.752   0.317  -0.172  1.00  0.00           H  
HETATM   40  H   UNL     1       5.628   2.270  -1.875  1.00  0.00           H  
HETATM   41  H   UNL     1       5.566   2.881  -0.204  1.00  0.00           H  
HETATM   42  H   UNL     1       7.132   2.473  -0.945  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   24                                            
CONECT    5    6    4   10   25                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   26                                            
CONECT    9    8   27   28   29                                       
CONECT   10    5   11   30   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   12   14   36                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   37                                            
CONECT   16   14   17   38                                            
CONECT   17   16   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   39                                            
CONECT   20   19   40   41   42                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
