COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.927   0.903  -0.774  1.00  0.00           C  
HETATM    2  N   UNL     1       7.089   0.279  -0.753  1.00  0.00           N  
HETATM    3  C   UNL     1       7.167  -0.965  -0.311  1.00  0.00           C  
HETATM    4  C   UNL     1       6.031  -1.618   0.130  1.00  0.00           C  
HETATM    5  N   UNL     1       4.862  -1.000   0.111  1.00  0.00           N  
HETATM    6  C   UNL     1       4.781   0.250  -0.325  1.00  0.00           C  
HETATM    7  N   UNL     1       3.553   0.903  -0.345  1.00  0.00           N  
HETATM    8  C   UNL     1       2.396   0.218   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.152   0.827  -0.122  1.00  0.00           C  
HETATM   10  N   UNL     1       2.461  -1.036   0.447  1.00  0.00           N  
HETATM   11  C   UNL     1       1.371  -1.698   0.777  1.00  0.00           C  
HETATM   12  C   UNL     1       1.499  -3.114   1.277  1.00  0.00           C  
HETATM   13  N   UNL     1       0.173  -1.160   0.684  1.00  0.00           N  
HETATM   14  C   UNL     1       0.018   0.092   0.239  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.323   0.686   0.132  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.635   2.025   0.167  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.855   3.178   0.302  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.411   4.362   0.304  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.796   4.504   0.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.588   3.402   0.036  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.994   2.127   0.034  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.505   0.905  -0.079  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.524   0.005  -0.030  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.676  -1.377  -0.116  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.952  -1.932  -0.268  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.159  -1.219  -0.347  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.162  -2.114  -0.491  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.616  -3.349  -0.502  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.229  -3.211  -0.366  1.00  0.00           N  
HETATM   30  H   UNL     1       5.864   1.918  -1.135  1.00  0.00           H  
HETATM   31  H   UNL     1       8.120  -1.472  -0.295  1.00  0.00           H  
HETATM   32  H   UNL     1       6.099  -2.634   0.489  1.00  0.00           H  
HETATM   33  H   UNL     1       3.504   1.838  -0.601  1.00  0.00           H  
HETATM   34  H   UNL     1       1.065   1.841  -0.484  1.00  0.00           H  
HETATM   35  H   UNL     1       1.611  -3.107   2.361  1.00  0.00           H  
HETATM   36  H   UNL     1       0.605  -3.677   1.007  1.00  0.00           H  
HETATM   37  H   UNL     1       2.374  -3.581   0.825  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.792   5.241   0.409  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.240   5.489   0.174  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.657   3.508  -0.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.898  -1.954  -0.070  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.267  -0.145  -0.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.213  -1.883  -0.581  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.100  -4.185  -0.592  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    3    1    1                                            
CONECT    3    4    4    2   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    1    7                                       
CONECT    7    6    8   33                                            
CONECT    8    9    7   10   10                                       
CONECT    9   14   14    8   34                                       
CONECT   10    8    8   11                                            
CONECT   11   13   13   10   12                                       
CONECT   12   11   35   36   37                                       
CONECT   13   14   11   11                                            
CONECT   14   15    9    9   13                                       
CONECT   15   16   23   23   14                                       
CONECT   16   21   17   15                                            
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   38                                       
CONECT   19   20   20   18   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   16                                       
CONECT   22   21   21   23                                            
CONECT   23   22   15   15   24                                       
CONECT   24   23   25   41                                            
CONECT   25   29   29   24   26                                       
CONECT   26   25   27   27   42                                       
CONECT   27   28   26   26   43                                       
CONECT   28   29   27   44                                            
CONECT   29   28   25   25                                            
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
