COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.252   4.374  -0.680  1.00  0.00           O  
HETATM    2  C   UNL     1       0.312   3.037  -0.439  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.564   2.178  -1.085  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.507   0.821  -0.843  1.00  0.00           C  
HETATM    5  C   UNL     1       1.258   2.534   0.452  1.00  0.00           C  
HETATM    6  O   UNL     1       2.119   3.379   1.079  1.00  0.00           O  
HETATM    7  C   UNL     1       3.062   2.794   1.980  1.00  0.00           C  
HETATM    8  C   UNL     1       1.320   1.175   0.699  1.00  0.00           C  
HETATM    9  C   UNL     1       0.434   0.310   0.053  1.00  0.00           C  
HETATM   10  C   UNL     1       0.495  -1.143   0.313  1.00  0.00           C  
HETATM   11  C   UNL     1       1.596  -1.966   0.164  1.00  0.00           C  
HETATM   12  C   UNL     1       2.944  -1.553  -0.290  1.00  0.00           C  
HETATM   13  C   UNL     1       3.084  -0.547  -1.245  1.00  0.00           C  
HETATM   14  C   UNL     1       4.343  -0.167  -1.664  1.00  0.00           C  
HETATM   15  C   UNL     1       5.465  -0.781  -1.138  1.00  0.00           C  
HETATM   16  C   UNL     1       5.333  -1.781  -0.190  1.00  0.00           C  
HETATM   17  C   UNL     1       4.080  -2.165   0.241  1.00  0.00           C  
HETATM   18  N   UNL     1       1.218  -3.212   0.507  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.038  -3.208   0.855  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.528  -1.946   0.758  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.896  -1.520   1.065  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.775  -1.693  -0.175  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.175  -1.146   0.112  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.114   0.315   0.303  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.578   0.690   1.645  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.100  -1.411  -1.095  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.959  -0.121  -1.166  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.936   0.961  -0.742  1.00  0.00           C  
HETATM   29  H   UNL     1       0.811   4.667  -1.414  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.292   2.572  -1.778  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.191   0.154  -1.347  1.00  0.00           H  
HETATM   32  H   UNL     1       3.686   3.576   2.411  1.00  0.00           H  
HETATM   33  H   UNL     1       2.529   2.274   2.776  1.00  0.00           H  
HETATM   34  H   UNL     1       3.689   2.085   1.439  1.00  0.00           H  
HETATM   35  H   UNL     1       2.052   0.783   1.389  1.00  0.00           H  
HETATM   36  H   UNL     1       2.209  -0.066  -1.657  1.00  0.00           H  
HETATM   37  H   UNL     1       4.452   0.612  -2.404  1.00  0.00           H  
HETATM   38  H   UNL     1       6.448  -0.480  -1.468  1.00  0.00           H  
HETATM   39  H   UNL     1       6.212  -2.257   0.217  1.00  0.00           H  
HETATM   40  H   UNL     1       3.978  -2.942   0.985  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.599  -4.072   1.177  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.292  -2.128   1.878  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.891  -0.472   1.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.336  -1.147  -1.010  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.843  -2.751  -0.428  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.582  -1.620   1.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.946   0.213   2.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.522   1.773   1.760  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.609   0.363   1.778  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.516  -1.535  -2.007  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.727  -2.283  -0.915  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.316   0.055  -2.181  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.792  -0.168  -0.464  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.451   1.832  -0.335  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.314   1.249  -1.590  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    9    9   31                                       
CONECT    5    2    6    8    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   32   33   34                                       
CONECT    8    5    5    9   35                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   20   11   11                                       
CONECT   11   10   10   12   18                                       
CONECT   12   13   11   17   17                                       
CONECT   13   14   14   12   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   12   12   16   40                                       
CONECT   18   19   19   11                                            
CONECT   19   20   18   18   41                                       
CONECT   20   21   10   19                                            
CONECT   21   22   20   42   43                                       
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   26   46                                       
CONECT   24   25   23   28                                            
CONECT   25   24   47   48   49                                       
CONECT   26   23   27   50   51                                       
CONECT   27   26   28   52   53                                       
CONECT   28   24   27   54   55                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
