COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.062   2.195   1.010  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.859  -0.064   1.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.947   0.251   0.320  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.662  -1.486   1.535  1.00  0.00           C  
HETATM    5  CA  UNL     1      -1.846  -2.251   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.753  -3.701   0.892  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.499  -1.680   0.410  1.00  0.00           N  
HETATM    8  O   UNL     1      -0.673  -4.206   1.088  1.00  0.00           O  
HETATM    9  OXT UNL     1      -2.870  -4.432   1.030  1.00  0.00           O  
HETATM   10  C   UNL     1       0.221  -1.812  -0.721  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.916   0.904   1.415  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.204  -2.488  -1.638  1.00  0.00           O  
HETATM   13  C   UNL     1       1.524  -1.138  -0.847  1.00  0.00           C  
HETATM   14  N   UNL     1       2.322  -1.101  -1.956  1.00  0.00           N  
HETATM   15  N   UNL     1       3.384  -0.423  -1.707  1.00  0.00           N  
HETATM   16  C   UNL     1       3.374   0.023  -0.468  1.00  0.00           C  
HETATM   17  C   UNL     1       2.178  -0.413   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1       4.431   0.842   0.178  1.00  0.00           C  
HETATM   19  C   UNL     1       5.567   1.209  -0.540  1.00  0.00           C  
HETATM   20  C   UNL     1       6.546   1.970   0.065  1.00  0.00           C  
HETATM   21  C   UNL     1       6.401   2.369   1.382  1.00  0.00           C  
HETATM   22  C   UNL     1       5.275   2.007   2.099  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287   1.250   1.502  1.00  0.00           C  
HETATM   24  C   UNL     1       2.012  -1.739  -3.237  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.178   2.561   0.239  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.134   1.575  -0.111  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.245   1.939  -0.891  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.393   3.232  -1.290  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.458   4.203  -0.937  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.365   3.886  -0.192  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.325   2.936   1.285  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.662  -0.513   0.054  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.130  -1.489   2.487  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.633  -1.965   1.660  1.00  0.00           H  
HETATM   35  HA  UNL     1      -2.333  -2.173  -0.480  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.126  -1.207   1.170  1.00  0.00           H  
HETATM   37  HXT UNL     1      -2.760  -5.358   1.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.058   0.626   2.008  1.00  0.00           H  
HETATM   39  H   UNL     1       1.846  -0.227   1.141  1.00  0.00           H  
HETATM   40  H   UNL     1       5.681   0.898  -1.568  1.00  0.00           H  
HETATM   41  H   UNL     1       7.427   2.256  -0.490  1.00  0.00           H  
HETATM   42  H   UNL     1       7.170   2.964   1.852  1.00  0.00           H  
HETATM   43  H   UNL     1       5.167   2.320   3.127  1.00  0.00           H  
HETATM   44  H   UNL     1       3.408   0.969   2.062  1.00  0.00           H  
HETATM   45  H   UNL     1       1.373  -1.081  -3.826  1.00  0.00           H  
HETATM   46  H   UNL     1       2.938  -1.929  -3.782  1.00  0.00           H  
HETATM   47  H   UNL     1       1.496  -2.682  -3.058  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.977   1.197  -1.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.248   3.509  -1.890  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.600   5.222  -1.267  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.644   4.648   0.067  1.00  0.00           H  
CONECT    1   11   11   25   31                                       
CONECT    2   11    4    3    3                                       
CONECT    3    2    2   26   32                                       
CONECT    4    2    5   33   34                                       
CONECT    5    4    7    6   35                                       
CONECT    6    5    8    8    9                                       
CONECT    7    5   10   36                                            
CONECT    8    6    6                                                 
CONECT    9    6   37                                                 
CONECT   10    7   13   12   12                                       
CONECT   11    1    1    2   38                                       
CONECT   12   10   10                                                 
CONECT   13   10   17   17   14                                       
CONECT   14   13   15   24                                            
CONECT   15   14   16   16                                            
CONECT   16   15   15   18   17                                       
CONECT   17   13   13   16   39                                       
CONECT   18   16   23   23   19                                       
CONECT   19   18   20   20   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   43                                       
CONECT   23   18   18   22   44                                       
CONECT   24   14   45   46   47                                       
CONECT   25    1   30   26   26                                       
CONECT   26    3   25   25   27                                       
CONECT   27   26   28   28   48                                       
CONECT   28   27   27   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   25   29   29   51                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
