COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.540  -0.371  -0.183  1.00  0.00           C  
HETATM    2  C   UNL     1       2.457  -1.201   1.068  1.00  0.00           C  
HETATM    3  C   UNL     1       1.366  -2.265   0.940  1.00  0.00           C  
HETATM    4  N   UNL     1       1.730   0.260  -2.280  1.00  0.00           N  
HETATM    5  C   UNL     1       1.787  -3.341  -0.079  1.00  0.00           C  
HETATM    6  C   UNL     1       1.158  -2.894  -1.416  1.00  0.00           C  
HETATM    7  N   UNL     1       3.606   1.300  -1.440  1.00  0.00           N  
HETATM    8  C   UNL     1       0.512  -1.521  -1.093  1.00  0.00           C  
HETATM    9  C   UNL     1       1.627  -0.502  -1.203  1.00  0.00           C  
HETATM   10  C   UNL     1       2.706   1.140  -2.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.978  -1.227   0.976  1.00  0.00           C  
HETATM   12  N   UNL     1       0.168  -1.625   0.348  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.974  -0.655   0.265  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.160  -0.243   0.915  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.250   0.382   0.138  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.283  -0.403   2.117  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.427   0.792   0.779  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.570   0.617   2.117  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.443   1.377   0.040  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.295   1.555  -1.322  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.134   1.150  -1.959  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.111   0.573  -1.238  1.00  0.00           C  
HETATM   23  C   UNL     1       3.562   0.570  -0.329  1.00  0.00           C  
HETATM   24  N   UNL     1       4.513   0.740   0.665  1.00  0.00           N  
HETATM   25  C   UNL     1       5.579   1.731   0.497  1.00  0.00           C  
HETATM   26  C   UNL     1       6.880   1.506   1.269  1.00  0.00           C  
HETATM   27  C   UNL     1       5.917   2.616   1.699  1.00  0.00           C  
HETATM   28  H   UNL     1       3.416  -1.689   1.238  1.00  0.00           H  
HETATM   29  H   UNL     1       2.229  -0.554   1.914  1.00  0.00           H  
HETATM   30  H   UNL     1       1.135  -2.704   1.910  1.00  0.00           H  
HETATM   31  H   UNL     1       2.873  -3.376  -0.165  1.00  0.00           H  
HETATM   32  H   UNL     1       1.397  -4.315   0.216  1.00  0.00           H  
HETATM   33  H   UNL     1       1.926  -2.784  -2.181  1.00  0.00           H  
HETATM   34  H   UNL     1       0.400  -3.608  -1.739  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.350  -1.296  -1.722  1.00  0.00           H  
HETATM   36  H   UNL     1       2.766   1.750  -3.279  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.087  -1.369   2.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.865  -0.513  -0.800  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.257   1.363   2.647  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.352   1.695   0.530  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.090   2.011  -1.893  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.028   1.293  -3.024  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.207   0.259  -1.739  1.00  0.00           H  
HETATM   44  H   UNL     1       4.472   0.203   1.472  1.00  0.00           H  
HETATM   45  H   UNL     1       5.653   2.179  -0.494  1.00  0.00           H  
HETATM   46  H   UNL     1       6.943   0.621   1.903  1.00  0.00           H  
HETATM   47  H   UNL     1       7.810   1.806   0.787  1.00  0.00           H  
HETATM   48  H   UNL     1       6.214   3.645   1.498  1.00  0.00           H  
HETATM   49  H   UNL     1       5.346   2.460   2.614  1.00  0.00           H  
CONECT    1    2   23   23    9                                       
CONECT    2    3    1   28   29                                       
CONECT    3    2   12    5   30                                       
CONECT    4    9    9   10                                            
CONECT    5    3    6   31   32                                       
CONECT    6    5    8   33   34                                       
CONECT    7   23   10   10                                            
CONECT    8   12    9    6   35                                       
CONECT    9    1    8    4    4                                       
CONECT   10    7    7    4   36                                       
CONECT   11   13   13   12   37                                       
CONECT   12    3   11    8                                            
CONECT   13   14   11   11   38                                       
CONECT   14   15   13   16   16                                       
CONECT   15   22   22   17   14                                       
CONECT   16   14   14                                                 
CONECT   17   19   19   15   18                                       
CONECT   18   17   39                                                 
CONECT   19   20   17   17   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   15   15   43                                       
CONECT   23   24    1    1    7                                       
CONECT   24   25   23   44                                            
CONECT   25   26   27   24   45                                       
CONECT   26   27   25   46   47                                       
CONECT   27   26   25   48   49                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
