COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.607  -0.138  -0.097  1.00  0.00           N  
HETATM    2  C   UNL     1       2.543   2.045  -0.119  1.00  0.00           C  
HETATM    3  C   UNL     1       1.601   1.023  -0.095  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.901  -2.173  -0.694  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.934  -3.071  -1.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.291  -0.989  -0.156  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.578  -0.717  -0.035  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.002   0.422   0.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.108   1.380   0.918  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.746   1.138   0.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.330  -0.072   0.269  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.965  -0.363   0.145  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.046   0.665   0.015  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.484   1.910  -0.112  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.638   2.920  -0.238  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.278   2.668  -0.237  1.00  0.00           C  
HETATM   17  C   UNL     1       0.154   1.345  -0.102  1.00  0.00           C  
HETATM   18  C   UNL     1       3.901   1.740  -0.116  1.00  0.00           C  
HETATM   19  C   UNL     1       4.872   2.792  -0.139  1.00  0.00           C  
HETATM   20  N   UNL     1       5.642   3.627  -0.157  1.00  0.00           N  
HETATM   21  C   UNL     1       4.321   0.394  -0.090  1.00  0.00           C  
HETATM   22  C   UNL     1       3.363  -0.614  -0.060  1.00  0.00           C  
HETATM   23  C   UNL     1       2.022  -0.310  -0.065  1.00  0.00           C  
HETATM   24  C   UNL     1       4.089  -1.945  -0.024  1.00  0.00           C  
HETATM   25  C   UNL     1       4.077  -2.607  -1.403  1.00  0.00           C  
HETATM   26  C   UNL     1       3.476  -2.870   1.029  1.00  0.00           C  
HETATM   27  O   UNL     1       4.180  -4.113   1.040  1.00  0.00           O  
HETATM   28  C   UNL     1       5.526  -1.537   0.375  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.754   0.380   0.026  1.00  0.00           N  
HETATM   30  H   UNL     1       6.013  -0.090  -1.020  1.00  0.00           H  
HETATM   31  H   UNL     1       2.221   3.076  -0.141  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.553  -3.329  -0.244  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.550  -2.593  -1.865  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.486  -3.976  -1.514  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.063   0.607   0.564  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.466   2.308   1.339  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.027   1.871   1.145  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.664  -1.285   0.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.005   3.930  -0.341  1.00  0.00           H  
HETATM   40  H   UNL     1       0.434   3.474  -0.339  1.00  0.00           H  
HETATM   41  H   UNL     1       1.290  -1.104  -0.045  1.00  0.00           H  
HETATM   42  H   UNL     1       4.572  -1.956  -2.124  1.00  0.00           H  
HETATM   43  H   UNL     1       4.603  -3.560  -1.353  1.00  0.00           H  
HETATM   44  H   UNL     1       3.046  -2.778  -1.715  1.00  0.00           H  
HETATM   45  H   UNL     1       3.550  -2.402   2.011  1.00  0.00           H  
HETATM   46  H   UNL     1       2.427  -3.048   0.790  1.00  0.00           H  
HETATM   47  H   UNL     1       3.843  -4.750   1.685  1.00  0.00           H  
HETATM   48  H   UNL     1       6.261  -2.160  -0.135  1.00  0.00           H  
HETATM   49  H   UNL     1       5.657  -1.589   1.456  1.00  0.00           H  
CONECT    1   21   28   30                                            
CONECT    2    3    3   18   31                                       
CONECT    3   17    2    2   23                                       
CONECT    4    5    6                                                 
CONECT    5    4   32   33   34                                       
CONECT    6    4   11   11    7                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7    9   35                                       
CONECT    9   10   10    8   36                                       
CONECT   10   11    9    9   37                                       
CONECT   11   12    6    6   10                                       
CONECT   12   13   11   38                                            
CONECT   13   14   12   29   29                                       
CONECT   14   15   15   13                                            
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   40                                       
CONECT   17   16   16   29    3                                       
CONECT   18    2   19   21   21                                       
CONECT   19   20   20   20   18                                       
CONECT   20   19   19   19                                            
CONECT   21   18   18   22    1                                       
CONECT   22   23   23   21   24                                       
CONECT   23    3   22   22   41                                       
CONECT   24   22   25   28   26                                       
CONECT   25   24   42   43   44                                       
CONECT   26   24   27   45   46                                       
CONECT   27   26   47                                                 
CONECT   28    1   24   48   49                                       
CONECT   29   13   13   17                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
