COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.886   0.945   1.119  1.00  0.00           N  
HETATM    2  C   UNL     1       7.482  -0.319   0.489  1.00  0.00           C  
HETATM    3  C   UNL     1       6.021  -0.254   0.124  1.00  0.00           C  
HETATM    4  C   UNL     1       5.642   0.220  -1.119  1.00  0.00           C  
HETATM    5  C   UNL     1       4.307   0.282  -1.460  1.00  0.00           C  
HETATM    6  C   UNL     1       3.337  -0.134  -0.546  1.00  0.00           C  
HETATM    7  C   UNL     1       3.726  -0.612   0.706  1.00  0.00           C  
HETATM    8  C   UNL     1       5.065  -0.673   1.032  1.00  0.00           C  
HETATM    9  C   UNL     1       1.904  -0.070  -0.904  1.00  0.00           C  
HETATM   10  O   UNL     1       1.568   0.346  -1.996  1.00  0.00           O  
HETATM   11  N   UNL     1       0.970  -0.473  -0.020  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.450  -0.410  -0.375  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.148  -1.711   0.037  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.641  -1.494   0.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.189  -0.225   0.006  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.440   0.902  -0.019  1.00  0.00           O  
HETATM   17  B   UNL     1      -1.155   0.791   0.417  1.00  0.00           B1-
HETATM   18  O   UNL     1      -0.485   1.957   0.174  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.146   0.523   1.758  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.590  -0.080   0.005  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.409  -1.210   0.022  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.843  -2.466   0.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.466  -2.606   0.042  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.192   1.265  -0.012  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.479   2.249  -0.026  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.532   1.404  -0.013  1.00  0.00           O  
HETATM   27  H   UNL     1       8.863   0.926   1.373  1.00  0.00           H  
HETATM   28  H   UNL     1       7.684   1.730   0.517  1.00  0.00           H  
HETATM   29  H   UNL     1       8.074  -0.482  -0.411  1.00  0.00           H  
HETATM   30  H   UNL     1       7.646  -1.141   1.186  1.00  0.00           H  
HETATM   31  H   UNL     1       6.394   0.543  -1.825  1.00  0.00           H  
HETATM   32  H   UNL     1       5.368  -1.046   2.000  1.00  0.00           H  
HETATM   33  H   UNL     1       4.013   0.652  -2.431  1.00  0.00           H  
HETATM   34  H   UNL     1       2.980  -0.935   1.418  1.00  0.00           H  
HETATM   35  H   UNL     1       1.238  -0.806   0.851  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.556  -0.258  -1.449  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.890  -2.502  -0.667  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.827  -1.995   1.040  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.030  -3.594   0.056  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.859   2.727   0.624  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.559   1.211   2.299  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.483  -1.100   0.021  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.475  -3.342   0.051  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.880   2.306  -0.024  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3   29   30                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   34                                       
CONECT    8    3    3    7   32                                       
CONECT    9    6   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   35                                            
CONECT   12   11   13   17   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   15   23   23                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17                                                 
CONECT   17   12   16   18   19                                       
CONECT   18   17   40                                                 
CONECT   19   17   41                                                 
CONECT   20   15   15   21   24                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   43                                       
CONECT   23   14   14   22   39                                       
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   44                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   23                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
