COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.728   0.500   0.291  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.501  -0.898  -1.228  1.00  0.00           C  
HETATM    3  C1* UNL     1      -3.202  -0.018   0.415  1.00  0.00           C  
HETATM    4  C5* UNL     1      -6.295  -1.697  -0.537  1.00  0.00           C  
HETATM    5  C4* UNL     1      -5.365  -0.768   0.245  1.00  0.00           C  
HETATM    6  C2* UNL     1      -3.961   1.166  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1       0.311   0.088  -0.560  1.00  0.00           C  
HETATM    8  C   UNL     1       4.000   0.770  -0.879  1.00  0.00           C  
HETATM    9  C   UNL     1       6.901  -1.062   0.460  1.00  0.00           C  
HETATM   10  C   UNL     1       4.853   0.720  -2.164  1.00  0.00           C  
HETATM   11  C   UNL     1       6.265   0.429  -1.614  1.00  0.00           C  
HETATM   12  C   UNL     1       6.038  -0.294  -0.303  1.00  0.00           C  
HETATM   13  C   UNL     1       6.466  -1.633   1.640  1.00  0.00           C  
HETATM   14  C   UNL     1       4.735  -0.097   0.121  1.00  0.00           C  
HETATM   15  C   UNL     1       5.165  -1.434   2.064  1.00  0.00           C  
HETATM   16  C   UNL     1       4.302  -0.669   1.305  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.858  -0.135  -0.157  1.00  0.00           N  
HETATM   18  C3* UNL     1      -5.417   0.661  -0.340  1.00  0.00           C  
HETATM   19  O3* UNL     1      -6.294   1.486   0.430  1.00  0.00           O  
HETATM   20  C   UNL     1       0.767   1.803   1.454  1.00  0.00           C  
HETATM   21  C   UNL     1       1.600   0.598  -0.329  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.228  -0.766  -1.464  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.456   1.351   1.276  1.00  0.00           N  
HETATM   24  N   UNL     1       1.775   1.444   0.680  1.00  0.00           N  
HETATM   25  N   UNL     1       2.663   0.228  -1.135  1.00  0.00           N  
HETATM   26  O2* UNL     1      -3.895   2.318   0.618  1.00  0.00           O  
HETATM   27  O5* UNL     1      -6.295  -2.992   0.068  1.00  0.00           O  
HETATM   28  O4* UNL     1      -3.991  -1.183   0.087  1.00  0.00           O  
HETATM   29  H   UNL     1      -2.176  -1.520  -1.798  1.00  0.00           H  
HETATM   30  H1* UNL     1      -3.144   0.109   1.496  1.00  0.00           H  
HETATM   31 H5*1 UNL     1      -7.307  -1.292  -0.526  1.00  0.00           H  
HETATM   32 H5*2 UNL     1      -5.947  -1.778  -1.567  1.00  0.00           H  
HETATM   33  H4* UNL     1      -5.641  -0.756   1.300  1.00  0.00           H  
HETATM   34  H2* UNL     1      -3.556   1.390  -1.212  1.00  0.00           H  
HETATM   35  H   UNL     1       3.928   1.793  -0.512  1.00  0.00           H  
HETATM   36  H   UNL     1       7.918  -1.216   0.130  1.00  0.00           H  
HETATM   37  H   UNL     1       4.519  -0.084  -2.820  1.00  0.00           H  
HETATM   38  H   UNL     1       4.826   1.678  -2.684  1.00  0.00           H  
HETATM   39  H   UNL     1       6.817  -0.207  -2.306  1.00  0.00           H  
HETATM   40  H   UNL     1       6.805   1.361  -1.445  1.00  0.00           H  
HETATM   41  H   UNL     1       7.143  -2.231   2.232  1.00  0.00           H  
HETATM   42  H   UNL     1       4.824  -1.880   2.987  1.00  0.00           H  
HETATM   43  H   UNL     1       3.285  -0.515   1.637  1.00  0.00           H  
HETATM   44  H3* UNL     1      -5.731   0.636  -1.383  1.00  0.00           H  
HETATM   45  H3* UNL     1      -7.221   1.214   0.394  1.00  0.00           H  
HETATM   46  H   UNL     1       0.953   2.493   2.264  1.00  0.00           H  
HETATM   47  H   UNL     1       2.523  -0.391  -1.869  1.00  0.00           H  
HETATM   48  H2* UNL     1      -4.355   3.091   0.264  1.00  0.00           H  
HETATM   49  H5* UNL     1      -6.864  -3.634  -0.376  1.00  0.00           H  
CONECT    1    7    7   17   23                                       
CONECT    2   22   22   17   29                                       
CONECT    3   17    6   28   30                                       
CONECT    4   27    5   31   32                                       
CONECT    5   18   28    4   33                                       
CONECT    6   26    3   18   34                                       
CONECT    7   22   21    1    1                                       
CONECT    8   14   10   25   35                                       
CONECT    9   13   13   12   36                                       
CONECT   10   11    8   37   38                                       
CONECT   11   12   10   39   40                                       
CONECT   12    9   11   14   14                                       
CONECT   13    9    9   15   41                                       
CONECT   14   12   12   16    8                                       
CONECT   15   13   16   16   42                                       
CONECT   16   15   15   14   43                                       
CONECT   17    2    1    3                                            
CONECT   18    6    5   19   44                                       
CONECT   19   18   45                                                 
CONECT   20   24   23   23   46                                       
CONECT   21   25    7   24   24                                       
CONECT   22    2    2    7                                            
CONECT   23    1   20   20                                            
CONECT   24   21   21   20                                            
CONECT   25    8   21   47                                            
CONECT   26    6   48                                                 
CONECT   27    4   49                                                 
CONECT   28    3    5                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
