COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.847   3.910   0.100  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.817   2.778   0.103  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.494   1.519   0.141  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.719   0.403   0.149  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.338   0.516   0.120  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.550  -0.625   0.129  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.196  -0.516   0.101  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.447  -1.734   0.112  1.00  0.00           C  
HETATM    9  C   UNL     1       0.992  -1.425   0.079  1.00  0.00           C  
HETATM   10  C   UNL     1       2.139  -1.179   0.052  1.00  0.00           C  
HETATM   11  C   UNL     1       3.539  -0.879   0.019  1.00  0.00           C  
HETATM   12  C   UNL     1       4.476  -1.927   0.023  1.00  0.00           C  
HETATM   13  C   UNL     1       5.810  -1.670  -0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       6.265  -0.343  -0.042  1.00  0.00           C  
HETATM   15  C   UNL     1       7.635  -0.025  -0.075  1.00  0.00           C  
HETATM   16  C   UNL     1       8.002   1.286  -0.109  1.00  0.00           C  
HETATM   17  N   UNL     1       7.107   2.265  -0.112  1.00  0.00           N  
HETATM   18  C   UNL     1       5.814   2.044  -0.084  1.00  0.00           C  
HETATM   19  C   UNL     1       5.329   0.726  -0.047  1.00  0.00           C  
HETATM   20  C   UNL     1       3.957   0.441  -0.021  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.146  -1.877   0.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.523  -1.988   0.194  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.310  -0.852   0.191  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.812  -0.977   0.229  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.351  -0.809  -1.127  1.00  0.00           N1+
HETATM   26  H   UNL     1      -8.356  -0.892  -1.102  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.097   0.102  -1.479  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.969  -1.521  -1.731  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.331   4.870   0.070  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.488   3.815  -0.777  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.454   3.851   1.003  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.210   2.836  -0.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.176   2.872   0.979  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.876   1.492   0.091  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.678  -2.294   1.018  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.711  -2.330  -0.761  1.00  0.00           H  
HETATM   37  H   UNL     1       4.131  -2.950   0.051  1.00  0.00           H  
HETATM   38  H   UNL     1       6.519  -2.485  -0.003  1.00  0.00           H  
HETATM   39  H   UNL     1       8.381  -0.805  -0.072  1.00  0.00           H  
HETATM   40  H   UNL     1       9.052   1.536  -0.133  1.00  0.00           H  
HETATM   41  H   UNL     1       5.123   2.875  -0.087  1.00  0.00           H  
HETATM   42  H   UNL     1       3.233   1.242  -0.028  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.533  -2.766   0.173  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.985  -2.964   0.223  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.085  -1.961   0.610  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.223  -0.207   0.882  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5   23                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7   21   21                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   10   10                                       
CONECT   10    9    9    9   11                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   41                                       
CONECT   19   14   18   20   20                                       
CONECT   20   11   19   19   42                                       
CONECT   21    6    6   22   43                                       
CONECT   22   21   23   23   44                                       
CONECT   23    4   22   22   24                                       
CONECT   24   23   25   45   46                                       
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
