COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.669  -1.828  -1.233  1.00  0.00           O  
HETATM    2  C   UNL     1       6.701  -1.081   1.479  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.068  -1.918  -0.097  1.00  0.00           O  
HETATM    4  C   UNL     1       5.712   0.891   0.784  1.00  0.00           C  
HETATM    5  C   UNL     1       5.039   0.199  -0.232  1.00  0.00           C  
HETATM    6  C   UNL     1       5.237  -1.194  -0.361  1.00  0.00           C  
HETATM    7  C   UNL     1       4.243   1.193  -0.950  1.00  0.00           C  
HETATM    8  C   UNL     1       4.471   2.374  -0.352  1.00  0.00           C  
HETATM    9  C   UNL     1       3.342   0.942  -2.131  1.00  0.00           C  
HETATM   10  C   UNL     1       1.986   0.502  -1.644  1.00  0.00           C  
HETATM   11  C   UNL     1       1.727  -0.843  -1.447  1.00  0.00           C  
HETATM   12  C   UNL     1       0.488  -1.252  -1.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.507  -0.306  -0.748  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.240   1.049  -0.948  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.150   2.590  -0.691  1.00  0.00           O  
HETATM   16  C   UNL     1       1.006   1.446  -1.390  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.838  -0.737  -0.271  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.088  -0.234   0.313  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.919   0.610   1.041  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.197   0.207   1.379  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.658  -1.036   0.996  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.831  -1.892   0.264  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.543  -1.483  -0.082  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.306  -3.183  -0.134  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.424   1.969   1.464  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.643   2.954   0.344  1.00  0.00           C  
HETATM   27  N   UNL     1       6.073  -1.804   0.509  1.00  0.00           N  
HETATM   28  N   UNL     1       6.525   0.214   1.608  1.00  0.00           N  
HETATM   29  N   UNL     1       5.350   2.203   0.688  1.00  0.00           N  
HETATM   30  N   UNL     1       7.540  -1.727   2.351  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.796   0.179  -0.027  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.683  -4.207  -0.450  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.276   4.236   0.497  1.00  0.00           O  
HETATM   34  H   UNL     1       4.030   3.315  -0.645  1.00  0.00           H  
HETATM   35  H   UNL     1       3.240   1.859  -2.712  1.00  0.00           H  
HETATM   36  H   UNL     1       3.774   0.161  -2.758  1.00  0.00           H  
HETATM   37  H   UNL     1       2.498  -1.574  -1.643  1.00  0.00           H  
HETATM   38  H   UNL     1       0.287  -2.302  -0.848  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.005   1.787  -0.755  1.00  0.00           H  
HETATM   40  H   UNL     1       1.215   2.494  -1.542  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.837   0.867   1.945  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.657  -1.348   1.263  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.901  -2.138  -0.651  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.971   2.296   2.348  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.360   1.913   1.694  1.00  0.00           H  
HETATM   46  H   UNL     1       6.227  -2.760   0.442  1.00  0.00           H  
HETATM   47  H   UNL     1       5.667   2.911   1.270  1.00  0.00           H  
HETATM   48  H   UNL     1       7.678  -2.684   2.272  1.00  0.00           H  
HETATM   49  H   UNL     1       7.995  -1.228   3.047  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.589   1.125  -0.088  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.437   4.831  -0.249  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2   30   28   28   27                                       
CONECT    3   17   17                                                 
CONECT    4   28   29    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6   27    5    1    1                                       
CONECT    7    8    8    5    9                                       
CONECT    8   29    7    7   34                                       
CONECT    9    7   10   35   36                                       
CONECT   10   11    9   16   16                                       
CONECT   11   12   12   10   37                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   17   14   14                                       
CONECT   14   13   13   16   39                                       
CONECT   15   26   26                                                 
CONECT   16   10   10   14   40                                       
CONECT   17    3    3   13   31                                       
CONECT   18   19   31   23   23                                       
CONECT   19   25   20   20   18                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   24                                       
CONECT   23   18   18   22   43                                       
CONECT   24   22   32   32   32                                       
CONECT   25   19   26   44   45                                       
CONECT   26   25   15   15   33                                       
CONECT   27    2    6   46                                            
CONECT   28    2    2    4                                            
CONECT   29    4    8   47                                            
CONECT   30    2   48   49                                            
CONECT   31   17   18   50                                            
CONECT   32   24   24   24                                            
CONECT   33   26   51                                                 
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   33                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
