COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       3.846   0.566   1.786  1.00  0.00           N  
HETATM    2  C   UNK     1       3.696   0.943   0.374  1.00  0.00           C  
HETATM    3  C   UNK     1       2.212   0.939   0.001  1.00  0.00           C  
HETATM    4  O   UNK     1       1.700  -0.392   0.093  1.00  0.00           O  
HETATM    5  C   UNK     1       4.264   2.322   0.158  1.00  0.00           C  
HETATM    6  O   UNK     1       4.608   2.720  -1.077  1.00  0.00           O  
HETATM    7  O   UNK     1       4.411   3.068   1.097  1.00  0.00           O  
HETATM    8  N   UNK     1       0.565  -2.731  -0.935  1.00  0.00           N  
HETATM    9  C   UNK     1      -0.259  -1.794  -0.167  1.00  0.00           C  
HETATM   10  C   UNK     1      -1.675  -1.766  -0.747  1.00  0.00           C  
HETATM   11  C   UNK     1      -2.558  -0.912   0.125  1.00  0.00           C  
HETATM   12  C   UNK     1      -2.936   0.374  -0.297  1.00  0.00           C  
HETATM   13  C   UNK     1      -3.771   1.161   0.534  1.00  0.00           C  
HETATM   14  C   UNK     1      -2.990  -1.379   1.328  1.00  0.00           C  
HETATM   15  C   UNK     1      -3.808  -0.604   2.148  1.00  0.00           C  
HETATM   16  C   UNK     1      -4.197   0.644   1.769  1.00  0.00           C  
HETATM   17  O   UNK     1       0.260   0.145  -1.525  1.00  0.00           O  
HETATM   18  O   UNK     1      -0.279   0.501   0.612  1.00  0.00           O  
HETATM   19  B   UNK     1       0.379  -0.332  -0.250  1.00  0.00           B1-
HETATM   20  C   UNK     1       1.388  -3.585  -0.295  1.00  0.00           C  
HETATM   21  O   UNK     1       1.521  -3.513   0.908  1.00  0.00           O  
HETATM   22  C   UNK     1       2.145  -4.629  -1.075  1.00  0.00           C  
HETATM   23  C   UNK     1      -2.514   0.889  -1.535  1.00  0.00           C  
HETATM   24  C   UNK     1      -2.904   2.137  -1.914  1.00  0.00           C  
HETATM   25  C   UNK     1      -3.721   2.913  -1.093  1.00  0.00           C  
HETATM   26  C   UNK     1      -4.153   2.445   0.109  1.00  0.00           C  
HETATM   27  H   UNK     1       4.822   0.682   2.014  1.00  0.00           H  
HETATM   28  H   UNK     1       3.339   1.252   2.324  1.00  0.00           H  
HETATM   29  H   UNK     1       4.229   0.228  -0.252  1.00  0.00           H  
HETATM   30  H   UNK     1       2.093   1.304  -1.020  1.00  0.00           H  
HETATM   31  H   UNK     1       1.664   1.587   0.684  1.00  0.00           H  
HETATM   32  H   UNK     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   33  H   UNK     1       0.518  -2.736  -1.904  1.00  0.00           H  
HETATM   34  H   UNK     1      -0.299  -2.115   0.874  1.00  0.00           H  
HETATM   35  H   UNK     1      -1.647  -1.350  -1.754  1.00  0.00           H  
HETATM   36  H   UNK     1      -2.072  -2.781  -0.784  1.00  0.00           H  
HETATM   37  H   UNK     1      -2.695  -2.366   1.652  1.00  0.00           H  
HETATM   38  H   UNK     1      -4.137  -0.999   3.098  1.00  0.00           H  
HETATM   39  H   UNK     1      -4.831   1.234   2.415  1.00  0.00           H  
HETATM   40  H   UNK     1       0.680  -0.503  -2.106  1.00  0.00           H  
HETATM   41  H   UNK     1      -0.170   0.129   1.498  1.00  0.00           H  
HETATM   42  H   UNK     1       1.548  -5.539  -1.139  1.00  0.00           H  
HETATM   43  H   UNK     1       2.347  -4.256  -2.080  1.00  0.00           H  
HETATM   44  H   UNK     1       3.087  -4.847  -0.572  1.00  0.00           H  
HETATM   45  H   UNK     1      -1.881   0.299  -2.181  1.00  0.00           H  
HETATM   46  H   UNK     1      -2.576   2.531  -2.864  1.00  0.00           H  
HETATM   47  H   UNK     1      -4.017   3.900  -1.418  1.00  0.00           H  
HETATM   48  H   UNK     1      -4.787   3.058   0.734  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3    5   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3   19                                                 
CONECT    5    2    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   32                                                 
CONECT    8    9   20   33                                            
CONECT    9    8   10   19   34                                       
CONECT   10    9   11   35   36                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   23                                       
CONECT   13   12   16   16   26                                       
CONECT   14   11   15   15   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   13   13   15   39                                       
CONECT   17   19   40                                                 
CONECT   18   19   41                                                 
CONECT   19    4    9   17   18                                       
CONECT   20    8   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   42   43   44                                       
CONECT   23   12   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   26   47                                       
CONECT   26   13   25   25   48                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
