COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -4.705  -0.450  -0.091  1.00  0.00           B  
HETATM    2  C   UNL     1       1.437   1.014   0.732  1.00  0.00           C  
HETATM    3  C   UNL     1       1.503   1.877  -0.502  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.015   0.907   1.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.865   0.280   0.096  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.317   0.173   0.567  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.189  -0.338  -0.582  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.330  -1.116  -0.228  1.00  0.00           C  
HETATM    9  C   UNL     1       1.122  -1.009  -0.699  1.00  0.00           C  
HETATM   10  C   UNL     1       1.972  -0.382   0.408  1.00  0.00           C  
HETATM   11  C   UNL     1       3.424  -0.275  -0.063  1.00  0.00           C  
HETATM   12  C   UNL     1       5.144  -1.573  -1.166  1.00  0.00           C  
HETATM   13  C   UNL     1       4.279  -2.286   0.980  1.00  0.00           C  
HETATM   14  N   UNL     1       2.253   1.617   1.795  1.00  0.00           N  
HETATM   15  N   UNL     1       3.965  -1.621  -0.292  1.00  0.00           N  
HETATM   16  O   UNL     1       2.664   2.445  -0.862  1.00  0.00           O  
HETATM   17  O   UNL     1       0.510   2.057  -1.166  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.147   0.781   0.304  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.484  -0.906  -1.118  1.00  0.00           O1+
HETATM   20  O   UNL     1      -4.780  -1.320   0.960  1.00  0.00           O  
HETATM   21  H   UNL     1      -0.063   0.283   2.095  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.397   1.902   1.434  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.817   0.904  -0.797  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.377  -0.521   1.405  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.670   1.155   0.882  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.836  -1.320  -0.898  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.129   0.356  -1.421  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.378  -1.740   0.664  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.935  -1.563  -1.017  1.00  0.00           H  
HETATM   30  H   UNL     1       1.503  -2.004  -0.930  1.00  0.00           H  
HETATM   31  H   UNL     1       1.170  -0.385  -1.592  1.00  0.00           H  
HETATM   32  H   UNL     1       1.924  -1.006   1.300  1.00  0.00           H  
HETATM   33  H   UNL     1       3.464   0.296  -0.990  1.00  0.00           H  
HETATM   34  H   UNL     1       4.016   0.230   0.700  1.00  0.00           H  
HETATM   35  H   UNL     1       5.534  -2.581  -1.307  1.00  0.00           H  
HETATM   36  H   UNL     1       4.863  -1.154  -2.132  1.00  0.00           H  
HETATM   37  H   UNL     1       5.911  -0.948  -0.708  1.00  0.00           H  
HETATM   38  H   UNL     1       3.373  -2.371   1.580  1.00  0.00           H  
HETATM   39  H   UNL     1       4.678  -3.281   0.782  1.00  0.00           H  
HETATM   40  H   UNL     1       5.020  -1.699   1.523  1.00  0.00           H  
HETATM   41  H   UNL     1       1.919   2.540   2.028  1.00  0.00           H  
HETATM   42  H   UNL     1       2.277   1.025   2.612  1.00  0.00           H  
HETATM   43  H   UNL     1       2.657   2.989  -1.661  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.122   1.451  -0.393  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.419  -0.999  -0.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.481  -2.216   0.751  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.326  -0.458  -1.960  1.00  0.00           H  
CONECT    1    7   19   18   20                                       
CONECT    2   14    3   10    4                                       
CONECT    3   17   17   16    2                                       
CONECT    4    2    5   21   22                                       
CONECT    5    4    8    6   23                                       
CONECT    6    5    7   24   25                                       
CONECT    7    6    1   26   27                                       
CONECT    8    9    5   28   29                                       
CONECT    9   10    8   30   31                                       
CONECT   10   11    2    9   32                                       
CONECT   11   15   10   33   34                                       
CONECT   12   15   35   36   37                                       
CONECT   13   15   38   39   40                                       
CONECT   14    2   41   42                                            
CONECT   15   13   11   12                                            
CONECT   16    3   43                                                 
CONECT   17    3    3                                                 
CONECT   18    1   44                                                 
CONECT   19    1   45   47                                            
CONECT   20    1   46                                                 
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   19                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
