COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.779  -1.154  -0.808  1.00  0.00           C  
HETATM    2  O   UNL     1       4.163  -1.384  -0.431  1.00  0.00           O  
HETATM    3  N   UNL     1       3.671   0.686   0.197  1.00  0.00           N  
HETATM    4  C   UNL     1       4.548  -0.258  -0.199  1.00  0.00           C  
HETATM    5  C   UNL     1       6.007   0.086  -0.352  1.00  0.00           C  
HETATM    6  C   UNL     1       2.338   0.341   0.445  1.00  0.00           C  
HETATM    7  C   UNL     1       2.029  -0.909   0.967  1.00  0.00           C  
HETATM    8  C   UNL     1       0.713  -1.252   1.214  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.301  -0.356   0.945  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.901   0.421  1.00  0.00           C  
HETATM   11  C   UNL     1       1.325   1.250   0.177  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.090   1.866   0.131  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.271   1.606  -0.609  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.987   2.746  -0.636  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.303   3.703   0.055  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.146   3.166   0.529  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.654   0.296  -1.248  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.211  -0.602  -0.228  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.482  -0.083   0.294  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.376  -1.962  -0.757  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.717  -2.918   0.388  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.881  -4.278  -0.141  1.00  0.00           N  
HETATM   23  H   UNL     1       6.384  -1.496  -1.764  1.00  0.00           H  
HETATM   24  H   UNL     1       7.834  -0.905  -0.919  1.00  0.00           H  
HETATM   25  H   UNL     1       6.668  -1.944  -0.065  1.00  0.00           H  
HETATM   26  H   UNL     1       3.964   1.604   0.308  1.00  0.00           H  
HETATM   27  H   UNL     1       6.402   0.429   0.604  1.00  0.00           H  
HETATM   28  H   UNL     1       6.118   0.877  -1.095  1.00  0.00           H  
HETATM   29  H   UNL     1       2.819  -1.614   1.180  1.00  0.00           H  
HETATM   30  H   UNL     1       0.477  -2.226   1.619  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.328  -0.628   1.139  1.00  0.00           H  
HETATM   32  H   UNL     1       1.563   2.224  -0.225  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.942   2.880  -1.122  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.596   4.618   0.189  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.401   3.682   1.117  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.401   0.474  -2.022  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.771  -0.163  -1.693  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.200   0.007  -0.522  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.873  -0.767   1.047  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.318   0.897   0.743  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.182  -1.972  -1.491  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.448  -2.282  -1.233  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.910  -2.908   1.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.644  -2.598   0.864  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.057  -4.573  -0.643  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.107  -4.928   0.596  1.00  0.00           H  
CONECT    1    5   23   24   25                                       
CONECT    2    4    4                                                 
CONECT    3    4    6   26                                            
CONECT    4    5    2    2    3                                       
CONECT    5    4    1   27   28                                       
CONECT    6    3    7    7   11                                       
CONECT    7    6    6    8   29                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   10   31                                       
CONECT   10   11   11    9   12                                       
CONECT   11    6   10   10   32                                       
CONECT   12   10   13   16   16                                       
CONECT   13   17   12   14   14                                       
CONECT   14   13   13   15   33                                       
CONECT   15   16   14   34                                            
CONECT   16   12   12   15   35                                       
CONECT   17   18   13   36   37                                       
CONECT   18   19   20   17                                            
CONECT   19   18   38   39   40                                       
CONECT   20   21   18   41   42                                       
CONECT   21   22   20   43   44                                       
CONECT   22   21   45   46                                            
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
