COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.981   1.342   0.653  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.094   1.283  -0.401  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.750  -0.094  -0.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.023  -0.197  -1.212  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.657  -1.162   0.472  1.00  0.00           C  
HETATM    6  C   UNL     1       5.214   1.185  -0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       6.587   1.323  -0.207  1.00  0.00           C  
HETATM    8  C   UNL     1       8.895   0.369  -0.052  1.00  0.00           C  
HETATM    9  C   UNL     1       7.396   0.212  -0.051  1.00  0.00           C  
HETATM   10  C   UNL     1       6.835  -1.043   0.106  1.00  0.00           C  
HETATM   11  C   UNL     1       5.463  -1.193   0.107  1.00  0.00           C  
HETATM   12  C   UNL     1       4.643  -0.077  -0.051  1.00  0.00           C  
HETATM   13  C   UNL     1       3.168  -0.232  -0.051  1.00  0.00           C  
HETATM   14  C   UNL     1       2.598  -1.495   0.106  1.00  0.00           C  
HETATM   15  C   UNL     1       1.227  -1.636   0.106  1.00  0.00           C  
HETATM   16  C   UNL     1       0.412  -0.521  -0.051  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.766   0.377   0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.775   0.202   0.072  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.767  -1.239  -0.583  1.00  0.00           C  
HETATM   20  C   UNL     1       0.978   0.739  -0.208  1.00  0.00           C  
HETATM   21  C   UNL     1       2.348   0.886  -0.202  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.979  -0.667  -0.051  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.088   0.192   0.461  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.283   1.485   0.407  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.613  -0.288   0.773  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.417   2.267   0.536  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.418   1.304   1.651  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.840   2.049  -0.186  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.669   1.455  -1.390  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.082   0.546  -2.007  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.241  -1.208  -1.557  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.072  -1.376   1.456  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.877  -1.888   0.238  1.00  0.00           H  
HETATM   34  H   UNL     1       4.583   2.053  -0.325  1.00  0.00           H  
HETATM   35  H   UNL     1       7.030   2.300  -0.329  1.00  0.00           H  
HETATM   36  H   UNL     1       9.243   0.540   0.967  1.00  0.00           H  
HETATM   37  H   UNL     1       9.355  -0.537  -0.445  1.00  0.00           H  
HETATM   38  H   UNL     1       9.171   1.218  -0.677  1.00  0.00           H  
HETATM   39  H   UNL     1       7.472  -1.906   0.227  1.00  0.00           H  
HETATM   40  H   UNL     1       5.026  -2.173   0.229  1.00  0.00           H  
HETATM   41  H   UNL     1       3.231  -2.361   0.228  1.00  0.00           H  
HETATM   42  H   UNL     1       0.785  -2.614   0.227  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.932   1.276   0.176  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.678  -0.381   0.254  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.290  -2.191  -0.493  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.331  -1.155  -1.578  1.00  0.00           H  
HETATM   47  H   UNL     1       0.343   1.604  -0.330  1.00  0.00           H  
HETATM   48  H   UNL     1       2.787   1.865  -0.324  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.377  -1.520  -0.287  1.00  0.00           H  
CONECT    1    2   23   26   27                                       
CONECT    2    3    1   28   29                                       
CONECT    3   25    4    2   19                                       
CONECT    4   18    3   30   31                                       
CONECT    5   19   23   32   33                                       
CONECT    6   12   12    7   34                                       
CONECT    7    6    9    9   35                                       
CONECT    8    9   36   37   38                                       
CONECT    9    7    7   10    8                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   40                                       
CONECT   12   13    6    6   11                                       
CONECT   13   21   21   14   12                                       
CONECT   14   15   15   13   41                                       
CONECT   15   16   14   14   42                                       
CONECT   16   22   20   20   15                                       
CONECT   17   23   24   24   22                                       
CONECT   18   25    4   43   44                                       
CONECT   19    3    5   45   46                                       
CONECT   20   16   16   21   47                                       
CONECT   21   20   13   13   48                                       
CONECT   22   17   16   49                                            
CONECT   23    1    5   17                                            
CONECT   24   17   17                                                 
CONECT   25   18    3                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
