COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.199  -2.986  -0.231  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.858  -2.546  -0.451  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.594  -1.233  -0.224  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.330  -0.753  -0.423  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.060   0.605  -0.193  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.620  -0.386   0.207  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.387   0.933   0.443  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.100   1.463   0.243  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.846   2.756   0.464  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.647   3.256   0.285  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.581   2.468  -0.142  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.771   1.137  -0.386  1.00  0.00           C  
HETATM   13  C   UNL     1       0.366   0.264  -0.850  1.00  0.00           C  
HETATM   14  O   UNL     1       1.345   1.069  -1.510  1.00  0.00           O  
HETATM   15  C   UNL     1       1.004  -0.426   0.358  1.00  0.00           C  
HETATM   16  C   UNL     1       1.716   0.617   1.225  1.00  0.00           C  
HETATM   17  C   UNL     1       3.205   0.257   1.308  1.00  0.00           C  
HETATM   18  C   UNL     1       3.336  -1.146   1.914  1.00  0.00           C  
HETATM   19  C   UNL     1       2.580  -2.140   1.028  1.00  0.00           C  
HETATM   20  N   UNL     1       1.979  -1.422  -0.105  1.00  0.00           N  
HETATM   21  C   UNL     1       3.014  -0.799  -0.942  1.00  0.00           C  
HETATM   22  C   UNL     1       3.783   0.233  -0.112  1.00  0.00           C  
HETATM   23  C   UNL     1       5.263  -0.153  -0.057  1.00  0.00           C  
HETATM   24  C   UNL     1       5.864  -0.070  -1.462  1.00  0.00           C  
HETATM   25  H   UNL     1      -5.473  -2.808   0.809  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.875  -2.434  -0.884  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.273  -4.051  -0.449  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.544  -1.415  -0.755  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.613  -0.785   0.354  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.191   1.573   0.775  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.482   4.306   0.474  1.00  0.00           H  
HETATM   32  H   UNL     1       0.396   2.908  -0.280  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.012  -0.489  -1.541  1.00  0.00           H  
HETATM   34  H   UNL     1       1.726   1.762  -0.954  1.00  0.00           H  
HETATM   35  H   UNL     1       0.230  -0.920   0.945  1.00  0.00           H  
HETATM   36  H   UNL     1       1.604   1.604   0.776  1.00  0.00           H  
HETATM   37  H   UNL     1       1.284   0.617   2.225  1.00  0.00           H  
HETATM   38  H   UNL     1       3.732   0.983   1.928  1.00  0.00           H  
HETATM   39  H   UNL     1       4.389  -1.427   1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       2.911  -1.152   2.918  1.00  0.00           H  
HETATM   41  H   UNL     1       3.272  -2.894   0.654  1.00  0.00           H  
HETATM   42  H   UNL     1       1.795  -2.622   1.610  1.00  0.00           H  
HETATM   43  H   UNL     1       3.703  -1.565  -1.299  1.00  0.00           H  
HETATM   44  H   UNL     1       2.545  -0.305  -1.793  1.00  0.00           H  
HETATM   45  H   UNL     1       3.677   1.219  -0.566  1.00  0.00           H  
HETATM   46  H   UNL     1       5.792   0.532   0.605  1.00  0.00           H  
HETATM   47  H   UNL     1       5.359  -1.171   0.320  1.00  0.00           H  
HETATM   48  H   UNL     1       6.918  -0.345  -1.423  1.00  0.00           H  
HETATM   49  H   UNL     1       5.334  -0.755  -2.124  1.00  0.00           H  
HETATM   50  H   UNL     1       5.767   0.948  -1.839  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    6    2                                       
CONECT    4    5    3    3   28                                       
CONECT    5   12   12    8    4                                       
CONECT    6    7    7    3   29                                       
CONECT    7    8    6    6   30                                       
CONECT    8    9    9    5    7                                       
CONECT    9   10    8    8                                            
CONECT   10   11   11    9   31                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   13    5    5                                       
CONECT   13   14   12   15   33                                       
CONECT   14   13   34                                                 
CONECT   15   13   20   16   35                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   22   18   38                                       
CONECT   18   19   17   39   40                                       
CONECT   19   20   18   41   42                                       
CONECT   20   15   21   19                                            
CONECT   21   20   22   43   44                                       
CONECT   22   21   17   23   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   48   49   50                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
