COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.242   0.552   0.246  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.052  -1.845   0.312  1.00  0.00           C  
HETATM    3  C   UNL     1       0.315  -1.741   0.156  1.00  0.00           C  
HETATM    4  C   UNL     1       0.125   0.656   0.089  1.00  0.00           C  
HETATM    5  C   UNL     1       2.962   0.642   0.449  1.00  0.00           C  
HETATM    6  C   UNL     1       4.425   0.698   0.369  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.506  -0.099  -0.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.046  -1.171   0.698  1.00  0.00           C  
HETATM    9  O   UNL     1       8.795  -0.125  -0.463  1.00  0.00           O  
HETATM   10  N   UNL     1       7.672  -0.563  -0.640  1.00  0.00           N  
HETATM   11  O   UNL     1       7.513  -1.603  -1.252  1.00  0.00           O  
HETATM   12  C   UNL     1       6.500   0.170  -0.109  1.00  0.00           C  
HETATM   13  O   UNL     1       5.221  -0.207  -0.236  1.00  0.00           O  
HETATM   14  C   UNL     1       6.544   1.331   0.580  1.00  0.00           C  
HETATM   15  C   UNL     1       5.220   1.679   0.889  1.00  0.00           C  
HETATM   16  O   UNL     1       2.349   1.522   1.025  1.00  0.00           O  
HETATM   17  N   UNL     1       2.295  -0.385  -0.115  1.00  0.00           N  
HETATM   18  C   UNL     1       0.908  -0.490   0.043  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.835  -0.699   0.358  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.222  -0.804   0.517  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.040   0.073  -0.098  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.572   1.005  -0.723  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.355   0.807  -0.651  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.722   0.641  -0.568  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.641   1.618  -1.255  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.252  -0.421   0.144  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.415  -1.326   0.773  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.850   1.444   0.286  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.514  -2.818   0.400  1.00  0.00           H  
HETATM   30  H   UNL     1       0.924  -2.632   0.121  1.00  0.00           H  
HETATM   31  H   UNL     1       0.586   1.629   0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.394  -1.879   1.189  1.00  0.00           H  
HETATM   33  H   UNL     1       7.431   1.887   0.844  1.00  0.00           H  
HETATM   34  H   UNL     1       4.893   2.553   1.433  1.00  0.00           H  
HETATM   35  H   UNL     1       2.776  -1.051  -0.631  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.595  -1.508   1.071  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.943   1.636  -1.207  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.844   1.274  -2.270  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.578   1.688  -0.701  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.167   2.599  -1.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.323  -0.546   0.206  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.834  -2.155   1.323  1.00  0.00           H  
CONECT    1   19   19    4   28                                       
CONECT    2   19    3    3   29                                       
CONECT    3    2    2   18   30                                       
CONECT    4    1   18   18   31                                       
CONECT    5   16   16   17    6                                       
CONECT    6   15   15    5   13                                       
CONECT    7    8   21   23   23                                       
CONECT    8   27   27    7   32                                       
CONECT    9   10   10                                                 
CONECT   10   12    9    9   11                                       
CONECT   10   11                                                      
CONECT   11   10   10                                                 
CONECT   12   14   14   13   10                                       
CONECT   13    6   12                                                 
CONECT   14   15   12   12   33                                       
CONECT   15    6    6   14   34                                       
CONECT   16    5    5                                                 
CONECT   17   18    5   35                                            
CONECT   18    4    4    3   17                                       
CONECT   19   20    1    1    2                                       
CONECT   20   21   19   36                                            
CONECT   21    7   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23    7    7   24   37                                       
CONECT   24   26   26   23   25                                       
CONECT   25   24   38   39   40                                       
CONECT   26   27   24   24   41                                       
CONECT   27    8    8   26   42                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
