COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.397  -0.605   0.697  1.00  0.00           C  
HETATM    2  C   UNL     1       2.164   0.491   1.739  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.274  -1.166  -0.192  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.755   0.136  -0.076  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.901   1.216  -0.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.573   1.000  -0.595  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.554  -3.527  -0.140  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.443   3.548  -0.386  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.378  -1.290  -1.961  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.671  -0.539  -1.050  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.088  -0.305  -0.712  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.374   2.487  -0.165  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.061   0.351   0.234  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.389   0.453   1.621  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.113  -2.220   0.001  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.947  -1.388  -0.509  1.00  0.00           C  
HETATM   17  N   UNL     1       0.300   0.079  -0.348  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.038   1.051   0.700  1.00  0.00           C  
HETATM   19  C   UNL     1       0.663   0.639   1.999  1.00  0.00           C  
HETATM   20  C   UNL     1       1.716  -0.207  -0.617  1.00  0.00           C  
HETATM   21  C   UNL     1       3.876  -0.773   0.465  1.00  0.00           C  
HETATM   22  C   UNL     1       4.480  -1.966   0.703  1.00  0.00           C  
HETATM   23  C   UNL     1       5.856  -2.093   0.478  1.00  0.00           C  
HETATM   24  N   UNL     1       6.554  -1.069   0.043  1.00  0.00           N  
HETATM   25  N   UNL     1       4.626   0.266   0.010  1.00  0.00           N  
HETATM   26  N   UNL     1       4.326   1.592  -0.330  1.00  0.00           N  
HETATM   27  C   UNL     1       5.448   2.153  -0.713  1.00  0.00           C  
HETATM   28  N   UNL     1       6.436   1.272  -0.637  1.00  0.00           N  
HETATM   29  C   UNL     1       5.968   0.110  -0.193  1.00  0.00           C  
HETATM   30  H   UNL     1       1.975  -1.544   1.055  1.00  0.00           H  
HETATM   31  H   UNL     1       2.668   0.221   2.668  1.00  0.00           H  
HETATM   32  H   UNL     1       2.563   1.435   1.370  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.912   1.839  -0.753  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.748  -3.658   0.583  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.327  -4.274   0.040  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.159  -3.647  -1.149  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.629   3.473   0.335  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.042   3.474  -1.397  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.949   4.506  -0.265  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.842   1.285   2.064  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.460   0.624   1.729  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.117  -0.473   2.128  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.575  -2.398  -0.598  1.00  0.00           H  
HETATM   44  H   UNL     1       0.301   2.043   0.401  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.117   1.064   0.853  1.00  0.00           H  
HETATM   46  H   UNL     1       0.258  -0.312   2.345  1.00  0.00           H  
HETATM   47  H   UNL     1       0.499   1.403   2.759  1.00  0.00           H  
HETATM   48  H   UNL     1       2.197   0.682  -1.023  1.00  0.00           H  
HETATM   49  H   UNL     1       1.794  -1.026  -1.332  1.00  0.00           H  
HETATM   50  H   UNL     1       3.905  -2.807   1.061  1.00  0.00           H  
HETATM   51  H   UNL     1       6.346  -3.037   0.664  1.00  0.00           H  
HETATM   52  H   UNL     1       5.552   3.177  -1.040  1.00  0.00           H  
CONECT    1   20    2   21   30                                       
CONECT    2   19    1   31   32                                       
CONECT    3   15    4    4   16                                       
CONECT    4   13    3    3    5                                       
CONECT    5    4   12    6    6                                       
CONECT    6    5    5   11   33                                       
CONECT    7   15   34   35   36                                       
CONECT    8   12   37   38   39                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   11   17                                       
CONECT   11   16   16    6   10                                       
CONECT   12    5    8                                                 
CONECT   13   14    4                                                 
CONECT   14   13   40   41   42                                       
CONECT   15    7    3                                                 
CONECT   16    3   11   11   43                                       
CONECT   17   10   18   20                                            
CONECT   18   17   19   44   45                                       
CONECT   19   18    2   46   47                                       
CONECT   20   17    1   48   49                                       
CONECT   21    1   25   22   22                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   24   51                                       
CONECT   24   29   23   23                                            
CONECT   25   26   21   29                                            
CONECT   26   27   27   25                                            
CONECT   27   26   26   28   52                                       
CONECT   28   27   29   29                                            
CONECT   29   25   28   28   24                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
