COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.928  -2.862   0.296  1.00  0.00           O  
HETATM    2  C   UNL     1       0.182  -1.931  -0.319  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.381  -2.196  -1.355  1.00  0.00           O  
HETATM    4  C   UNL     1       0.048  -0.555   0.281  1.00  0.00           C  
HETATM    5  N   UNL     1       0.037  -0.659   1.746  1.00  0.00           N  
HETATM    6  C   UNL     1       1.230   0.311  -0.159  1.00  0.00           C  
HETATM    7  C   UNL     1       2.536  -0.328   0.317  1.00  0.00           C  
HETATM    8  C   UNL     1       3.718   0.538  -0.124  1.00  0.00           C  
HETATM    9  C   UNL     1       5.024  -0.101   0.353  1.00  0.00           C  
HETATM   10  B   UNL     1       6.258   0.803  -0.107  1.00  0.00           B1-
HETATM   11  O   UNL     1       7.425   0.232   0.318  1.00  0.00           O  
HETATM   12  O   UNL     1       6.268   0.900  -1.471  1.00  0.00           O  
HETATM   13  O   UNL     1       6.136   2.051   0.437  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.258   0.084  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.444  -0.713   0.350  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.698  -0.099  -0.107  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.872   1.238   0.474  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.109   1.903  -0.134  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.340   1.039   0.151  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.489   1.626  -0.463  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.113  -0.363  -0.422  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.847  -0.962   0.195  1.00  0.00           C  
HETATM   23  H   UNL     1       0.984  -3.729  -0.127  1.00  0.00           H  
HETATM   24  H   UNL     1       0.860  -1.136   2.082  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.052   0.251   2.173  1.00  0.00           H  
HETATM   26  H   UNL     1       1.239   0.388  -1.247  1.00  0.00           H  
HETATM   27  H   UNL     1       1.133   1.306   0.275  1.00  0.00           H  
HETATM   28  H   UNL     1       2.528  -0.405   1.404  1.00  0.00           H  
HETATM   29  H   UNL     1       2.633  -1.323  -0.117  1.00  0.00           H  
HETATM   30  H   UNL     1       3.727   0.615  -1.211  1.00  0.00           H  
HETATM   31  H   UNL     1       3.621   1.533   0.310  1.00  0.00           H  
HETATM   32  H   UNL     1       5.016  -0.178   1.440  1.00  0.00           H  
HETATM   33  H   UNL     1       5.121  -1.096  -0.082  1.00  0.00           H  
HETATM   34  H   UNL     1       7.577  -0.658  -0.030  1.00  0.00           H  
HETATM   35  H   UNL     1       6.993   1.436  -1.821  1.00  0.00           H  
HETATM   36  H   UNL     1       5.329   2.516   0.178  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.313   1.111   0.166  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.288   0.081  -1.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.389  -1.740  -0.011  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.414  -0.709   1.440  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.000   1.152   1.553  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.992   1.844   0.261  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.247   2.890   0.309  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.976   2.003  -1.211  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.497   0.972   1.228  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.307   1.129  -0.323  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.968  -0.996  -0.185  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.996  -0.299  -1.504  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.675  -1.955  -0.222  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.971  -1.039   1.275  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    5    2   14                                       
CONECT    5    4   24   25                                            
CONECT    6    7    4   26   27                                       
CONECT    7    8    6   28   29                                       
CONECT    8    9    7   30   31                                       
CONECT    9   10    8   32   33                                       
CONECT   10   11   12   13    9                                       
CONECT   11   10   34                                                 
CONECT   12   10   35                                                 
CONECT   13   10   36                                                 
CONECT   14    4   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   15   22   17                                            
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   21   18   20   45                                       
CONECT   20   19   46                                                 
CONECT   21   22   19   47   48                                       
CONECT   22   16   21   49   50                                       
CONECT   23    1                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
