COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.675  -2.546   0.313  1.00  0.00           O  
HETATM    2  C   UNL     1       3.748  -1.339   0.159  1.00  0.00           C  
HETATM    3  N   UNL     1       2.639  -0.575   0.134  1.00  0.00           N  
HETATM    4  C   UNL     1       5.053  -0.672   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       5.062   0.724  -0.174  1.00  0.00           C  
HETATM    6  C   UNL     1       6.270   1.389  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       7.450   0.675  -0.307  1.00  0.00           C  
HETATM    8  C   UNL     1       7.442  -0.701  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1       6.252  -1.380   0.018  1.00  0.00           C  
HETATM   10  N   UNL     1       3.853   1.391  -0.186  1.00  0.00           N  
HETATM   11  C   UNL     1       2.700   0.717  -0.030  1.00  0.00           C  
HETATM   12  C   UNL     1       1.410   1.496  -0.046  1.00  0.00           C  
HETATM   13  N   UNL     1       0.280   0.576   0.138  1.00  0.00           N  
HETATM   14  C   UNL     1       0.306  -0.029   1.477  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.999   1.256  -0.107  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.109   0.238  -0.151  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.849  -0.946  -0.103  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.391   0.643  -0.245  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.437  -0.290  -0.212  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.146  -1.640  -0.365  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.161  -2.575  -0.332  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.469  -2.165  -0.144  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.761  -0.823   0.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.748   0.120  -0.028  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.103   1.575   0.131  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.879   2.380   0.567  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.716   2.070  -0.378  1.00  0.00           C  
HETATM   28  H   UNL     1       6.286   2.461  -0.461  1.00  0.00           H  
HETATM   29  H   UNL     1       8.390   1.194  -0.427  1.00  0.00           H  
HETATM   30  H   UNL     1       8.375  -1.245  -0.125  1.00  0.00           H  
HETATM   31  H   UNL     1       6.250  -2.452   0.151  1.00  0.00           H  
HETATM   32  H   UNL     1       3.836   2.354  -0.304  1.00  0.00           H  
HETATM   33  H   UNL     1       1.417   2.228   0.762  1.00  0.00           H  
HETATM   34  H   UNL     1       1.308   2.010  -1.002  1.00  0.00           H  
HETATM   35  H   UNL     1       0.245   0.755   2.231  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.541  -0.706   1.586  1.00  0.00           H  
HETATM   37  H   UNL     1       1.235  -0.586   1.606  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.191   1.968   0.696  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.952   1.785  -1.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.124  -1.958  -0.511  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.935  -3.624  -0.452  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.263  -2.896  -0.116  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.784  -0.509   0.152  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.467   1.963  -0.821  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.885   1.675   0.883  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.109   3.445   0.527  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.603   2.102   1.585  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.850   2.674  -0.109  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.010   2.281  -1.406  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   11   11                                            
CONECT    4    2    9    9    5                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    7   28                                       
CONECT    7    8    8    6   29                                       
CONECT    8    9    7    7   30                                       
CONECT    9    4    4    8   31                                       
CONECT   10   11    5   32                                            
CONECT   11    3    3   12   10                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   15                                            
CONECT   14   13   35   36   37                                       
CONECT   15   13   16   38   39                                       
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   27   19   16                                            
CONECT   19   24   18   20   20                                       
CONECT   20   19   19   21   40                                       
CONECT   21   22   22   20   41                                       
CONECT   22   23   21   21   42                                       
CONECT   23   24   24   22   43                                       
CONECT   24   25   23   23   19                                       
CONECT   25   26   24   44   45                                       
CONECT   26   25   27   46   47                                       
CONECT   27   26   18   48   49                                       
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
