COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.249  -3.834  -0.692  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.439  -2.719  -0.762  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.667  -1.641   0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.713  -1.696   1.011  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.516  -2.816   1.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.288  -3.881   0.219  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.800  -0.440   0.021  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.380   0.843  -0.062  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.575   1.970  -0.127  1.00  0.00           C  
HETATM   10  C   UNL     1       0.809   1.836  -0.112  1.00  0.00           C  
HETATM   11  C   UNL     1       1.390   0.554  -0.029  1.00  0.00           C  
HETATM   12  C   UNL     1       0.577  -0.580   0.043  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.854   0.987  -0.079  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.621   0.223  -0.958  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.993   0.359  -0.971  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.611   1.255  -0.110  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.851   2.018   0.766  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.479   1.883   0.789  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.964   1.387  -0.125  1.00  0.00           O  
HETATM   20  N   UNL     1       1.843   2.737  -0.162  1.00  0.00           N  
HETATM   21  N   UNL     1       3.058   2.045  -0.112  1.00  0.00           N  
HETATM   22  C   UNL     1       2.839   0.760  -0.034  1.00  0.00           C  
HETATM   23  N   UNL     1       3.815  -0.241   0.034  1.00  0.00           N  
HETATM   24  C   UNL     1       5.122   0.090   0.020  1.00  0.00           C  
HETATM   25  C   UNL     1       6.173  -0.988   0.093  1.00  0.00           C  
HETATM   26  C   UNL     1       7.562  -0.348   0.061  1.00  0.00           C  
HETATM   27  C   UNL     1       8.629  -1.442   0.134  1.00  0.00           C  
HETATM   28  O   UNL     1       5.452   1.255  -0.050  1.00  0.00           O  
HETATM   29  H   UNL     1      -2.073  -4.670  -1.354  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.630  -2.682  -1.477  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.894  -0.864   1.675  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.326  -2.860   1.784  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.920  -4.756   0.270  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.023   2.951  -0.191  1.00  0.00           H  
HETATM   35  H   UNL     1       1.022  -1.561   0.111  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.140  -0.474  -1.629  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.587  -0.232  -1.652  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.335   2.715   1.435  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.889   2.473   1.474  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.424   0.791   0.481  1.00  0.00           H  
HETATM   41  H   UNL     1       3.552  -1.173   0.090  1.00  0.00           H  
HETATM   42  H   UNL     1       6.053  -1.550   1.019  1.00  0.00           H  
HETATM   43  H   UNL     1       6.063  -1.660  -0.757  1.00  0.00           H  
HETATM   44  H   UNL     1       7.682   0.215  -0.865  1.00  0.00           H  
HETATM   45  H   UNL     1       7.672   0.325   0.911  1.00  0.00           H  
HETATM   46  H   UNL     1       9.619  -0.986   0.112  1.00  0.00           H  
HETATM   47  H   UNL     1       8.510  -2.004   1.061  1.00  0.00           H  
HETATM   48  H   UNL     1       8.519  -2.115  -0.716  1.00  0.00           H  
HETATM   49  H   UNL     1       1.747   3.700  -0.222  1.00  0.00           H  
CONECT    1    2    2    6   29                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    3    8    8   12                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   20   11                                       
CONECT   11   10   22   12   12                                       
CONECT   12    7   11   11   35                                       
CONECT   13    8   14   14   18                                       
CONECT   14   13   13   15   36                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   19   17                                       
CONECT   17   16   18   18   38                                       
CONECT   18   13   17   17   39                                       
CONECT   19   16   40                                                 
CONECT   20   10   21   49                                            
CONECT   21   20   22   22                                            
CONECT   22   11   21   21   23                                       
CONECT   23   22   24   41                                            
CONECT   24   23   25   28   28                                       
CONECT   25   24   26   42   43                                       
CONECT   26   25   27   44   45                                       
CONECT   27   26   46   47   48                                       
CONECT   28   24   24                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   20                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
