COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.887   2.323   0.161  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.330   0.277  -0.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.524   0.951   0.067  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.641  -1.122  -0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.035  -1.694  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.763  -1.740  -1.440  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.602  -2.184   0.900  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.917   2.447   0.374  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.777   3.058   0.534  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.753   4.384   0.911  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.510   2.329   0.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.292   3.009   0.363  1.00  0.00           C  
HETATM   13  C   UNL     1       0.868   0.962  -0.093  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.703   0.280   0.020  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.042  -2.274  -1.405  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.545  -2.740  -0.204  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.821  -2.685   0.896  1.00  0.00           N  
HETATM   18  C   UNL     1       2.162   0.223  -0.318  1.00  0.00           C  
HETATM   19  C   UNL     1       2.755  -0.181   1.029  1.00  0.00           C  
HETATM   20  C   UNL     1       4.097  -0.839   0.857  1.00  0.00           C  
HETATM   21  C   UNL     1       4.587  -1.686   1.829  1.00  0.00           C  
HETATM   22  C   UNL     1       5.824  -2.285   1.667  1.00  0.00           C  
HETATM   23  C   UNL     1       6.580  -2.042   0.534  1.00  0.00           C  
HETATM   24  C   UNL     1       6.100  -1.196  -0.448  1.00  0.00           C  
HETATM   25  C   UNL     1       4.858  -0.597  -0.287  1.00  0.00           C  
HETATM   26  B   UNL     1       4.270   0.366  -1.387  1.00  0.00           B  
HETATM   27  O   UNL     1       4.887   0.526  -2.656  1.00  0.00           O  
HETATM   28  O   UNL     1       3.074   1.071  -1.029  1.00  0.00           O  
HETATM   29  H   UNL     1       1.829   2.850   0.196  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.338  -0.784  -0.339  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.054  -1.615   0.528  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.171  -1.287  -1.217  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.345  -1.368  -2.364  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.039  -2.156   1.822  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.936   1.531   0.054  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.584   4.862   1.056  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.905   4.839   1.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.273   4.070   0.561  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.638  -2.326  -2.304  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.540  -3.157  -0.169  1.00  0.00           H  
HETATM   41  H   UNL     1       1.969  -0.671  -0.910  1.00  0.00           H  
HETATM   42  H   UNL     1       2.869   0.708   1.650  1.00  0.00           H  
HETATM   43  H   UNL     1       2.077  -0.876   1.523  1.00  0.00           H  
HETATM   44  H   UNL     1       4.005  -1.883   2.718  1.00  0.00           H  
HETATM   45  H   UNL     1       6.203  -2.947   2.431  1.00  0.00           H  
HETATM   46  H   UNL     1       7.545  -2.512   0.417  1.00  0.00           H  
HETATM   47  H   UNL     1       6.686  -1.003  -1.334  1.00  0.00           H  
HETATM   48  H   UNL     1       4.429   1.144  -3.241  1.00  0.00           H  
CONECT    1   12   12   13   29                                       
CONECT    2   13   13    3   30                                       
CONECT    3   11   11    2   14                                       
CONECT    4   14    5   31   32                                       
CONECT    5    4    7    7    6                                       
CONECT    6    5   15   15   33                                       
CONECT    7    5    5   17   34                                       
CONECT    8    9    9   35                                            
CONECT    9    8    8   10   11                                       
CONECT   10    9   36   37                                            
CONECT   11   12    9    3    3                                       
CONECT   12    1    1   11   38                                       
CONECT   13    1   18    2    2                                       
CONECT   14    3    4                                                 
CONECT   15    6    6   16   39                                       
CONECT   16   17   17   15   40                                       
CONECT   17    7   16   16                                            
CONECT   18   28   13   19   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   44                                       
CONECT   22   23   23   21   45                                       
CONECT   23   24   22   22   46                                       
CONECT   24   25   25   23   47                                       
CONECT   25   26   24   24   20                                       
CONECT   26   27   28   25                                            
CONECT   27   26   48                                                 
CONECT   28   26   18                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
