COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.352   0.977   1.857  1.00  0.00           C  
HETATM    2  C   UNL     1       5.184   2.048   1.148  1.00  0.00           C  
HETATM    3  C   UNL     1       4.650   2.252  -0.271  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.707   2.884   0.513  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.992   3.312   0.337  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.374  -2.509   0.023  1.00  0.00           C  
HETATM    7  C   UNL     1       1.507  -0.641  -0.173  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.726  -1.144  -0.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.414  -3.549   0.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.695   1.021  -0.046  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.003   2.389   0.055  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.443   2.498  -0.184  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.901   1.256  -0.405  1.00  0.00           C  
HETATM   14  C   UNL     1       4.745   0.937  -1.046  1.00  0.00           C  
HETATM   15  C   UNL     1       3.912  -0.134  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       4.447  -0.339   1.082  1.00  0.00           C  
HETATM   17  N   UNL     1       2.513   0.297  -0.275  1.00  0.00           N  
HETATM   18  N   UNL     1       4.232   1.133  -2.408  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.375   0.602   0.137  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.393   1.536   0.416  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.049  -0.755   0.041  1.00  0.00           N  
HETATM   22  N   UNL     1       0.912  -2.844  -0.043  1.00  0.00           N  
HETATM   23  N   UNL     1       1.819  -1.935  -0.138  1.00  0.00           N  
HETATM   24  N   UNL     1       0.244  -0.240  -0.118  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.580  -3.230   0.262  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.871   0.359  -0.327  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.072  -4.851   0.087  1.00  0.00           N  
HETATM   28  H   UNL     1       4.733   0.831   2.868  1.00  0.00           H  
HETATM   29  H   UNL     1       3.311   1.298   1.903  1.00  0.00           H  
HETATM   30  H   UNL     1       5.117   2.985   1.701  1.00  0.00           H  
HETATM   31  H   UNL     1       6.225   1.727   1.102  1.00  0.00           H  
HETATM   32  H   UNL     1       3.609   2.573  -0.225  1.00  0.00           H  
HETATM   33  H   UNL     1       5.243   3.015  -0.776  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.928   3.601   0.726  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.227   4.364   0.415  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.027   3.407  -0.183  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.930   1.001  -0.614  1.00  0.00           H  
HETATM   38  H   UNL     1       5.785   0.616  -1.092  1.00  0.00           H  
HETATM   39  H   UNL     1       3.980  -1.071  -0.889  1.00  0.00           H  
HETATM   40  H   UNL     1       5.487  -0.659   1.036  1.00  0.00           H  
HETATM   41  H   UNL     1       3.854  -1.101   1.587  1.00  0.00           H  
HETATM   42  H   UNL     1       2.295   1.241  -0.305  1.00  0.00           H  
HETATM   43  H   UNL     1       4.765   1.836  -2.898  1.00  0.00           H  
HETATM   44  H   UNL     1       4.223   0.264  -2.921  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.372   1.213   0.558  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.752  -1.423   0.016  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.955  -0.599  -0.451  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.142  -5.106  -0.017  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.757  -5.535   0.158  1.00  0.00           H  
CONECT    1   16    2   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2   14   32   33                                       
CONECT    4   20   20    5   34                                       
CONECT    5    4   11   11   35                                       
CONECT    6    8    8   22    9                                       
CONECT    7   17   24   24   23                                       
CONECT    8   24   21    6    6                                       
CONECT    9    6   25   25   27                                       
CONECT   10   19   19   11   26                                       
CONECT   11    5    5   10   12                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12   26   37                                       
CONECT   14   15    3   18   38                                       
CONECT   15   16   17   14   39                                       
CONECT   16    1   15   40   41                                       
CONECT   17   15    7   42                                            
CONECT   18   14   43   44                                            
CONECT   19   20   21   10   10                                       
CONECT   20    4    4   19   45                                       
CONECT   21   19    8   46                                            
CONECT   22   23   23    6                                            
CONECT   23    7   22   22                                            
CONECT   24    7    7    8                                            
CONECT   25    9    9                                                 
CONECT   26   10   13   47                                            
CONECT   27    9   48   49                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
