COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.157  -0.163  -0.005  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.396   1.205  -0.192  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.359   2.086  -0.255  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.041   1.628  -0.131  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.417   0.120   0.142  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.794   0.256   0.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.849  -0.634   0.125  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.082  -2.293   0.222  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.289  -1.106   0.060  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.552  -0.652  -0.061  1.00  0.00           N  
HETATM   11  N   UNL     1      -7.601  -1.525   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.120   1.366  -0.002  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.837   2.249  -0.158  1.00  0.00           N  
HETATM   14  N   UNL     1       1.466   1.654   0.021  1.00  0.00           N  
HETATM   15  C   UNL     1       2.443   0.578   0.204  1.00  0.00           C  
HETATM   16  H   UNL     1      -5.410   1.564  -0.288  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.553   3.138  -0.399  1.00  0.00           H  
HETATM   18  H   UNL     1       0.073  -0.706   0.273  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.663  -1.688   0.271  1.00  0.00           H  
HETATM   20  H   UNL     1      -6.717   0.295  -0.190  1.00  0.00           H  
HETATM   21  H   UNL     1      -7.580  -2.056   0.858  1.00  0.00           H  
HETATM   22  H   UNL     1      -8.480  -1.042  -0.106  1.00  0.00           H  
HETATM   23  H   UNL     1       1.768   2.570  -0.085  1.00  0.00           H  
HETATM   24  H   UNL     1       2.264   0.083   1.159  1.00  0.00           H  
HETATM   25  H   UNL     1       2.342  -0.146  -0.605  1.00  0.00           H  
HETATM   26  C   UNL     1       3.856   1.164   0.191  1.00  0.00           C  
HETATM   27  N   UNL     1       4.836   0.084   0.375  1.00  0.00           N  
HETATM   28  C   UNL     1       6.203   0.567   0.132  1.00  0.00           C  
HETATM   29  C   UNL     1       7.194  -0.572   0.392  1.00  0.00           C  
HETATM   30  O   UNL     1       6.858  -1.687  -0.437  1.00  0.00           O  
HETATM   31  C   UNL     1       5.533  -2.183  -0.227  1.00  0.00           C  
HETATM   32  C   UNL     1       4.526  -1.061  -0.493  1.00  0.00           C  
HETATM   33  H   UNL     1       4.036   1.658  -0.764  1.00  0.00           H  
HETATM   34  H   UNL     1       3.957   1.887   1.000  1.00  0.00           H  
HETATM   35  H   UNL     1       6.294   0.899  -0.902  1.00  0.00           H  
HETATM   36  H   UNL     1       6.420   1.398   0.803  1.00  0.00           H  
HETATM   37  H   UNL     1       8.204  -0.235   0.159  1.00  0.00           H  
HETATM   38  H   UNL     1       7.141  -0.868   1.440  1.00  0.00           H  
HETATM   39  H   UNL     1       5.343  -3.013  -0.908  1.00  0.00           H  
HETATM   40  H   UNL     1       5.432  -2.526   0.803  1.00  0.00           H  
HETATM   41  H   UNL     1       3.519  -1.418  -0.279  1.00  0.00           H  
HETATM   42  H   UNL     1       4.590  -0.755  -1.537  1.00  0.00           H  
CONECT    1    7    7    2    9                                       
CONECT    2    3    3    1   16                                       
CONECT    3    4    2    2   17                                       
CONECT    4   13    6    6    3                                       
CONECT    5   12    6   18                                            
CONECT    6    5    4    4    7                                       
CONECT    7    6    1    1   19                                       
CONECT    8    9    9                                                 
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   20                                            
CONECT   11   10   21   22                                            
CONECT   12   14   13   13    5                                       
CONECT   13   12   12    4                                            
CONECT   14   15   12   23                                            
CONECT   15   14   24   25   26                                       
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   14                                                      
CONECT   24   15                                                      
CONECT   25   15                                                      
CONECT   26   15   27   33   34                                       
CONECT   27   26   28   32                                            
CONECT   28   27   29   35   36                                       
CONECT   29   28   30   37   38                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   39   40                                       
CONECT   32   31   27   41   42                                       
CONECT   33   26                                                      
CONECT   34   26                                                      
CONECT   35   28                                                      
CONECT   36   28                                                      
CONECT   37   29                                                      
CONECT   38   29                                                      
CONECT   39   31                                                      
CONECT   40   31                                                      
CONECT   41   32                                                      
CONECT   42   32                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
