COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.684   0.254   1.282  1.00  0.00           N  
HETATM    2  C   UNL     1       4.515   0.046  -0.745  1.00  0.00           C  
HETATM    3  C   UNL     1       4.940  -0.492   0.472  1.00  0.00           C  
HETATM    4  C   UNL     1       4.886   1.339  -1.059  1.00  0.00           C  
HETATM    5  C   UNL     1       6.019   1.490   0.943  1.00  0.00           C  
HETATM    6  N   UNL     1       5.629   2.026  -0.204  1.00  0.00           N  
HETATM    7  C   UNL     1       3.671  -0.765  -1.694  1.00  0.00           C  
HETATM    8  C   UNL     1       2.220  -0.643  -1.305  1.00  0.00           C  
HETATM    9  C   UNL     1       0.113   0.484  -1.490  1.00  0.00           C  
HETATM   10  C   UNL     1       1.444   0.367  -1.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.447  -0.413  -0.595  1.00  0.00           C  
HETATM   12  C   UNL     1       1.666  -1.544  -0.415  1.00  0.00           C  
HETATM   13  C   UNL     1       0.332  -1.433  -0.057  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.213  -2.316   0.822  1.00  0.00           O  
HETATM   15  C   UNL     1       0.646  -3.336   1.334  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.757  -0.300  -0.246  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.497   0.768  -0.841  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.918   0.735  -0.340  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.566   1.409   1.261  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.264   1.438   0.799  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.526   0.675   0.580  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.874   0.007  -1.023  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.177  -0.025  -0.566  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.807   0.645   1.032  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.743  -0.131   0.280  1.00  0.00           C  
HETATM   26  N   UNL     1       4.593  -1.785   0.828  1.00  0.00           N  
HETATM   27  N   UNL     1       6.794   2.240   1.810  1.00  0.00           N  
HETATM   28  H   UNL     1       4.574   1.785  -1.992  1.00  0.00           H  
HETATM   29  H   UNL     1       3.807  -0.394  -2.710  1.00  0.00           H  
HETATM   30  H   UNL     1       3.973  -1.811  -1.645  1.00  0.00           H  
HETATM   31  H   UNL     1       4.892  -2.152   1.675  1.00  0.00           H  
HETATM   32  H   UNL     1       4.049  -2.323   0.231  1.00  0.00           H  
HETATM   33  H   UNL     1       7.086   1.860   2.653  1.00  0.00           H  
HETATM   34  H   UNL     1       7.046   3.147   1.574  1.00  0.00           H  
HETATM   35  H   UNL     1       1.880   1.067  -2.542  1.00  0.00           H  
HETATM   36  H   UNL     1       2.273  -2.334   0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.491   1.274  -1.912  1.00  0.00           H  
HETATM   38  H   UNL     1       1.482  -2.877   1.861  1.00  0.00           H  
HETATM   39  H   UNL     1       0.087  -3.970   2.022  1.00  0.00           H  
HETATM   40  H   UNL     1       1.024  -3.940   0.509  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.039   1.720  -0.574  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.491   0.654  -1.925  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.516   2.010   1.328  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.602  -0.538  -1.915  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.836   1.958   2.151  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.923  -0.597  -1.098  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.800   0.255  -0.737  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.416  -1.171   0.257  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.725  -0.069   0.749  1.00  0.00           H  
CONECT    1    3    3    5                                            
CONECT    2    3    4    4    7                                       
CONECT    3    1    1    2   26                                       
CONECT    4    2    2    6   28                                       
CONECT    5    1    6    6   27                                       
CONECT    6    4    5    5                                            
CONECT    7    2    8   29   30                                       
CONECT    8    7   10   12   12                                       
CONECT    9   10   10   11   37                                       
CONECT   10    8    9    9   35                                       
CONECT   11    9   13   13   16                                       
CONECT   12    8    8   13   36                                       
CONECT   13   11   11   12   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   38   39   40                                       
CONECT   16   11   17                                                 
CONECT   17   16   18   41   42                                       
CONECT   18   17   20   22   22                                       
CONECT   19   20   20   21   45                                       
CONECT   20   18   19   19   43                                       
CONECT   21   19   23   23   24                                       
CONECT   22   18   18   23   44                                       
CONECT   23   21   21   22   46                                       
CONECT   24   21   25                                                 
CONECT   25   24   47   48   49                                       
CONECT   26    3   31   32                                            
CONECT   27    5   33   34                                            
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   26                                                      
CONECT   32   26                                                      
CONECT   33   27                                                      
CONECT   34   27                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37    9                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
