COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.700   0.406   0.512  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.369   0.214   0.098  1.00  0.00           C  
HETATM    3  C   UNL     1       1.122  -0.393   1.867  1.00  0.00           C  
HETATM    4  C   UNL     1       0.703   0.378  -0.753  1.00  0.00           C  
HETATM    5  C   UNL     1       2.001   0.147  -0.269  1.00  0.00           C  
HETATM    6  C   UNL     1       4.138  -0.099   0.053  1.00  0.00           C  
HETATM    7  C   UNL     1       5.598  -0.130  -0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       6.486  -0.482   0.802  1.00  0.00           C  
HETATM    9  C   UNL     1       7.842  -0.510   0.550  1.00  0.00           C  
HETATM   10  C   UNL     1       8.321  -0.187  -0.707  1.00  0.00           C  
HETATM   11  C   UNL     1       7.444   0.163  -1.718  1.00  0.00           C  
HETATM   12  C   UNL     1       6.085   0.188  -1.478  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.576   1.987  -0.138  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.057   0.738   0.052  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.064  -0.154  -0.276  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.151   0.638  -0.651  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.791   1.892  -0.545  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.859   3.243   0.094  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.000  -1.659  -0.237  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.256  -2.200  -0.653  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.303  -3.628  -0.652  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.508   0.106   1.675  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.669   0.430  -0.356  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.138  -0.180   1.432  1.00  0.00           C  
HETATM   25  N   UNL     1       2.184  -0.234   1.031  1.00  0.00           N  
HETATM   26  N   UNL     1       3.567  -0.384   1.208  1.00  0.00           N  
HETATM   27  N   UNL     1       3.200   0.222  -0.838  1.00  0.00           N  
HETATM   28  H   UNL     1       1.289  -0.694   2.890  1.00  0.00           H  
HETATM   29  H   UNL     1       0.547   0.679  -1.779  1.00  0.00           H  
HETATM   30  H   UNL     1       6.113  -0.734   1.784  1.00  0.00           H  
HETATM   31  H   UNL     1       8.531  -0.783   1.335  1.00  0.00           H  
HETATM   32  H   UNL     1       9.384  -0.209  -0.900  1.00  0.00           H  
HETATM   33  H   UNL     1       7.824   0.414  -2.697  1.00  0.00           H  
HETATM   34  H   UNL     1       5.401   0.458  -2.269  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.118   0.280  -0.972  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.278   3.499  -0.792  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.577   4.038   0.300  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.190   3.128   0.946  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.215  -2.007  -0.908  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.782  -1.987   0.779  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.544  -4.017  -1.332  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.111  -3.997   0.356  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.288  -3.960  -0.979  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.832   0.598  -1.298  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.970  -0.311   2.107  1.00  0.00           H  
CONECT    1   14   22   22   23                                       
CONECT    2   23   24    4    4                                       
CONECT    3   24   24   25   28                                       
CONECT    4    2    2    5   29                                       
CONECT    5    4   25   27   27                                       
CONECT    6   26   26   27    7                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   12   33                                       
CONECT   12    7   11   11   34                                       
CONECT   13   14   17   18                                            
CONECT   14   13   15   15    1                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   17   35                                       
CONECT   17   13   16   16                                            
CONECT   18   13   36   37   38                                       
CONECT   19   15   20   39   40                                       
CONECT   20   19   21                                                 
CONECT   21   20   41   42   43                                       
CONECT   22    1    1                                                 
CONECT   23    1    2   44                                            
CONECT   24    2    3    3   45                                       
CONECT   25    3    5   26                                            
CONECT   26   25    6    6                                            
CONECT   27    5    5    6                                            
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
