COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.918   1.126  -0.039  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.309   1.819   1.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.106   1.410   1.508  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.150  -1.353   0.428  1.00  0.00           C  
HETATM    5  C   UNL     1       0.031  -2.290   0.430  1.00  0.00           C  
HETATM    6  C   UNL     1       3.238  -0.483   1.262  1.00  0.00           C  
HETATM    7  C   UNL     1       2.855  -0.320  -1.113  1.00  0.00           C  
HETATM    8  C   UNL     1       4.889   0.749  -0.143  1.00  0.00           C  
HETATM    9  C   UNL     1       7.226   2.207  -0.419  1.00  0.00           C  
HETATM   10  C   UNL     1       6.454   1.925  -1.532  1.00  0.00           C  
HETATM   11  C   UNL     1       5.288   1.199  -1.400  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.794  -4.408  -0.330  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.467   0.291   0.961  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.298  -0.339   1.231  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.215  -1.447  -0.410  1.00  0.00           N  
HETATM   16  C   UNL     1       1.303  -1.496   0.280  1.00  0.00           C  
HETATM   17  C   UNL     1       2.072  -1.209   1.394  1.00  0.00           C  
HETATM   18  C   UNL     1       1.691  -1.047  -0.969  1.00  0.00           C  
HETATM   19  C   UNL     1       3.637  -0.033   0.005  1.00  0.00           C  
HETATM   20  C   UNL     1       5.674   1.031   0.973  1.00  0.00           C  
HETATM   21  C   UNL     1       6.838   1.758   0.830  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.089  -3.209  -0.657  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.074  -0.409  -0.099  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.298   0.006  -0.592  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.220   1.580  -0.563  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.749   0.980  -1.477  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.823   2.659  -0.026  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.796   2.683   1.443  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.644   1.951   2.321  1.00  0.00           H  
HETATM   30  H   UNL     1       0.055  -2.841   1.371  1.00  0.00           H  
HETATM   31  H   UNL     1       3.837  -0.260   2.132  1.00  0.00           H  
HETATM   32  H   UNL     1       3.158   0.030  -2.089  1.00  0.00           H  
HETATM   33  H   UNL     1       8.138   2.775  -0.527  1.00  0.00           H  
HETATM   34  H   UNL     1       6.762   2.278  -2.505  1.00  0.00           H  
HETATM   35  H   UNL     1       4.687   0.979  -2.270  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.841  -5.053  -1.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.273  -4.928   0.474  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.805  -4.159  -0.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.346  -2.114  -1.101  1.00  0.00           H  
HETATM   40  H   UNL     1       1.759  -1.555   2.368  1.00  0.00           H  
HETATM   41  H   UNL     1       1.082  -1.266  -1.834  1.00  0.00           H  
HETATM   42  H   UNL     1       5.371   0.681   1.949  1.00  0.00           H  
HETATM   43  H   UNL     1       7.444   1.981   1.695  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.770  -0.534  -1.399  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.675   2.918  -0.402  1.00  0.00           H  
CONECT    1   24   25    2    2                                       
CONECT    2    1    1    3   28                                       
CONECT    3   13   13    2   29                                       
CONECT    4    5   15   14   14                                       
CONECT    5   16   22    4   30                                       
CONECT    6   19   19   17   31                                       
CONECT    7   19   18   18   32                                       
CONECT    8   20   20   11   19                                       
CONECT    9   21   21   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10    8   35                                       
CONECT   12   22   36   37   38                                       
CONECT   13   14   23    3    3                                       
CONECT   14    4    4   13                                            
CONECT   15    4   23   39                                            
CONECT   16   17   17   18    5                                       
CONECT   17    6   16   16   40                                       
CONECT   18    7    7   16   41                                       
CONECT   19    8    6    6    7                                       
CONECT   20   21    8    8   42                                       
CONECT   21    9    9   20   43                                       
CONECT   22   12    5                                                 
CONECT   23   15   24   24   13                                       
CONECT   24   23   23    1   44                                       
CONECT   25   26   26    1   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   45                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
