COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.634   2.966  -0.915  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.924   1.795  -0.790  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.174   1.454  -0.425  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.520   0.113  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.848  -0.271  -0.137  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.169  -1.600   0.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.170  -2.550   0.184  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.841  -2.177   0.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.514  -0.848  -0.111  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.176  -0.439  -0.216  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.882   0.738  -1.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.194  -1.104   0.423  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.466  -2.043   1.148  1.00  0.00           O  
HETATM   14  C   UNL     1       0.207  -0.695   0.246  1.00  0.00           C  
HETATM   15  C   UNL     1       0.580   0.735   0.348  1.00  0.00           C  
HETATM   16  C   UNL     1       0.210   1.476   1.471  1.00  0.00           C  
HETATM   17  C   UNL     1       0.560   2.807   1.560  1.00  0.00           C  
HETATM   18  C   UNL     1       1.276   3.408   0.540  1.00  0.00           C  
HETATM   19  C   UNL     1       1.645   2.678  -0.576  1.00  0.00           C  
HETATM   20  C   UNL     1       1.306   1.344  -0.675  1.00  0.00           C  
HETATM   21  C   UNL     1       1.162  -1.630  -0.013  1.00  0.00           C  
HETATM   22  C   UNL     1       2.581  -1.256   0.007  1.00  0.00           C  
HETATM   23  C   UNL     1       3.047  -0.318   0.938  1.00  0.00           C  
HETATM   24  C   UNL     1       4.379   0.026   0.956  1.00  0.00           C  
HETATM   25  C   UNL     1       5.262  -0.557   0.054  1.00  0.00           C  
HETATM   26  O   UNL     1       6.576  -0.214   0.077  1.00  0.00           O  
HETATM   27  C   UNL     1       7.429  -0.850  -0.878  1.00  0.00           C  
HETATM   28  C   UNL     1       4.806  -1.488  -0.872  1.00  0.00           C  
HETATM   29  C   UNL     1       3.475  -1.839  -0.900  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.842   2.146  -0.299  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.632   0.467  -0.227  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.204  -1.899   0.135  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.429  -3.586   0.345  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.062  -2.919   0.187  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.903   0.457  -2.105  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.896   1.127  -0.797  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.349   1.008   2.268  1.00  0.00           H  
HETATM   38  H   UNL     1       0.275   3.382   2.429  1.00  0.00           H  
HETATM   39  H   UNL     1       1.547   4.451   0.614  1.00  0.00           H  
HETATM   40  H   UNL     1       2.203   3.152  -1.370  1.00  0.00           H  
HETATM   41  H   UNL     1       1.599   0.774  -1.544  1.00  0.00           H  
HETATM   42  H   UNL     1       0.876  -2.648  -0.234  1.00  0.00           H  
HETATM   43  H   UNL     1       2.362   0.135   1.639  1.00  0.00           H  
HETATM   44  H   UNL     1       4.740   0.749   1.673  1.00  0.00           H  
HETATM   45  H   UNL     1       7.404  -1.929  -0.725  1.00  0.00           H  
HETATM   46  H   UNL     1       7.083  -0.618  -1.885  1.00  0.00           H  
HETATM   47  H   UNL     1       8.449  -0.488  -0.751  1.00  0.00           H  
HETATM   48  H   UNL     1       5.496  -1.937  -1.571  1.00  0.00           H  
HETATM   49  H   UNL     1       3.122  -2.566  -1.616  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   11                                       
CONECT    3    4    2   30                                            
CONECT    4    5    3    9    9                                       
CONECT    5    6    6    4   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   34                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   12   11                                            
CONECT   11    2   10   35   36                                       
CONECT   12   14   10   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   21   21   15   12                                       
CONECT   15   16   14   20   20                                       
CONECT   16   17   17   15   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   15   15   19   41                                       
CONECT   21   22   14   14   42                                       
CONECT   22   23   23   29   21                                       
CONECT   23   24   22   22   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   24   24   28                                       
CONECT   26   27   25                                                 
CONECT   27   26   45   46   47                                       
CONECT   28   25   29   29   48                                       
CONECT   29   28   28   22   49                                       
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
