COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.575  -0.371   0.300  1.00  0.00           N  
HETATM    2  N   UNL     1       1.250  -2.661   0.103  1.00  0.00           N  
HETATM    3  C   UNL     1       2.890  -0.493   0.171  1.00  0.00           C  
HETATM    4  C   UNL     1       3.432  -1.775  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       2.554  -2.872  -0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       4.635  -3.559  -0.286  1.00  0.00           C  
HETATM    7  C   UNL     1       3.025   2.620  -0.853  1.00  0.00           C  
HETATM    8  C   UNL     1       2.580   2.272   1.481  1.00  0.00           C  
HETATM    9  C   UNL     1       2.339   4.732  -2.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.817  -1.675  -0.509  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.027   1.212  -0.029  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.913   0.170   0.573  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.393   1.379   0.109  1.00  0.00           C  
HETATM   14  C   UNL     1       0.781  -1.434   0.265  1.00  0.00           C  
HETATM   15  N   UNL     1       3.340  -3.982  -0.213  1.00  0.00           N  
HETATM   16  N   UNL     1       4.687  -2.265  -0.163  1.00  0.00           N  
HETATM   17  C   UNL     1       3.104   1.821   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1       2.425   3.863  -0.779  1.00  0.00           C  
HETATM   19  O   UNL     1       3.692   0.598   0.207  1.00  0.00           O  
HETATM   20  C   UNL     1       1.982   3.515   1.550  1.00  0.00           C  
HETATM   21  C   UNL     1       1.904   4.309   0.421  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.145  -0.252  -0.340  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.516  -0.070  -0.201  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.324  -1.119  -0.232  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.585  -1.252   0.404  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.419   0.320   0.802  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.311  -1.825  -0.738  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.631  -0.990  -0.104  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.205   0.252   0.075  1.00  0.00           C  
HETATM   30  H   UNL     1       5.491  -4.203  -0.425  1.00  0.00           H  
HETATM   31  H   UNL     1       3.436   2.273  -1.790  1.00  0.00           H  
HETATM   32  H   UNL     1       2.640   1.651   2.363  1.00  0.00           H  
HETATM   33  H   UNL     1       1.412   4.518  -2.539  1.00  0.00           H  
HETATM   34  H   UNL     1       2.355   5.781  -1.712  1.00  0.00           H  
HETATM   35  H   UNL     1       3.188   4.525  -2.659  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.105  -2.224   0.388  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.357  -2.073  -1.368  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.367   2.066  -0.007  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.373   0.568   1.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.625   0.719  -0.323  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.819   2.362   0.241  1.00  0.00           H  
HETATM   42  H   UNL     1       3.032  -4.900  -0.276  1.00  0.00           H  
HETATM   43  H   UNL     1       1.574   3.866   2.486  1.00  0.00           H  
HETATM   44  H   UNL     1       1.435   5.281   0.477  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.702  -0.206   1.714  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.669   1.377   0.899  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.062  -2.882  -0.835  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.028  -1.299  -1.650  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.259  -1.868  -0.135  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.276   0.348   0.180  1.00  0.00           H  
CONECT    1   14   14    3                                            
CONECT    2   14    5    5                                            
CONECT    3    1    4    4   19                                       
CONECT    4    3    3   16    5                                       
CONECT    5    2    2    4   15                                       
CONECT    6   15   16   16   30                                       
CONECT    7   17   17   18   31                                       
CONECT    8   17   20   20   32                                       
CONECT    9   18   33   34   35                                       
CONECT   10   22   27   36   37                                       
CONECT   11   23   13   13   38                                       
CONECT   12   25   26   39   40                                       
CONECT   13   11   11   29   41                                       
CONECT   14    1    1    2   25                                       
CONECT   15    5    6   42                                            
CONECT   16    4    6    6                                            
CONECT   17    7    7   19    8                                       
CONECT   18    7   21   21    9                                       
CONECT   19    3   17                                                 
CONECT   20   21    8    8   43                                       
CONECT   21   18   18   20   44                                       
CONECT   22   23   10   26                                            
CONECT   23   22   24   24   11                                       
CONECT   24   23   23   28                                            
CONECT   25   14   12   27                                            
CONECT   26   22   12   45   46                                       
CONECT   27   25   10   47   48                                       
CONECT   28   24   29   29   49                                       
CONECT   29   28   28   13   50                                       
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
