COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.276   0.075   1.603  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.405   0.900   0.756  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.202   1.802  -0.106  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.391   1.912  -1.422  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.824   0.473  -1.565  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.565   0.063  -0.108  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.081   0.220   0.242  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.889  -1.429   0.092  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.493  -2.098  -0.007  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.595  -1.117   0.655  1.00  0.00           N  
HETATM   11  C   UNL     1       0.732  -1.310   0.265  1.00  0.00           C  
HETATM   12  C   UNL     1       1.635  -0.251   0.284  1.00  0.00           C  
HETATM   13  C   UNL     1       2.944  -0.493  -0.114  1.00  0.00           C  
HETATM   14  O   UNL     1       3.861   0.510  -0.111  1.00  0.00           O  
HETATM   15  C   UNL     1       3.443   1.770   0.418  1.00  0.00           C  
HETATM   16  C   UNL     1       4.664   2.539   0.927  1.00  0.00           C  
HETATM   17  C   UNL     1       2.752   2.580  -0.680  1.00  0.00           C  
HETATM   18  C   UNL     1       3.303  -1.773  -0.513  1.00  0.00           C  
HETATM   19  N   UNL     1       2.421  -2.752  -0.518  1.00  0.00           N  
HETATM   20  C   UNL     1       1.171  -2.564  -0.143  1.00  0.00           C  
HETATM   21  H   UNL     1      -4.854  -0.605   0.976  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.666  -0.502   2.298  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.955   0.719   2.162  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.184   1.370  -0.301  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.305   2.781   0.361  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.040   2.161  -2.261  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.586   2.641  -1.324  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.557  -0.187  -2.028  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.896   0.479  -2.138  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.526   0.564  -0.631  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.964   0.929   1.061  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.330  -1.600   1.074  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.550  -1.789  -0.695  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.484  -3.049   0.526  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.209  -2.240  -1.050  1.00  0.00           H  
HETATM   36  H   UNL     1       1.325   0.734   0.600  1.00  0.00           H  
HETATM   37  H   UNL     1       2.748   1.605   1.241  1.00  0.00           H  
HETATM   38  H   UNL     1       5.359   2.704   0.104  1.00  0.00           H  
HETATM   39  H   UNL     1       4.345   3.500   1.331  1.00  0.00           H  
HETATM   40  H   UNL     1       5.156   1.962   1.710  1.00  0.00           H  
HETATM   41  H   UNL     1       3.447   2.744  -1.503  1.00  0.00           H  
HETATM   42  H   UNL     1       1.882   2.032  -1.043  1.00  0.00           H  
HETATM   43  H   UNL     1       2.433   3.541  -0.277  1.00  0.00           H  
HETATM   44  H   UNL     1       4.319  -1.969  -0.823  1.00  0.00           H  
HETATM   45  H   UNL     1       0.478  -3.392  -0.162  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    6    3    1                                            
CONECT    3    2    4   24   25                                       
CONECT    4    5    3   26   27                                       
CONECT    5    6    4   28   29                                       
CONECT    6    7    8    5    2                                       
CONECT    7   10    6   30   31                                       
CONECT    8    9    6   32   33                                       
CONECT    9   10    8   34   35                                       
CONECT   10   11    7    9                                            
CONECT   11   12   12   20   10                                       
CONECT   12   13   11   11   36                                       
CONECT   13   14   18   18   12                                       
CONECT   14   15   13                                                 
CONECT   15   17   14   16   37                                       
CONECT   16   15   38   39   40                                       
CONECT   17   15   41   42   43                                       
CONECT   18   13   13   19   44                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   11   45                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
