COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.704   1.782   1.138  1.00  0.00           C  
HETATM    2  O   UNL     1       7.946   0.574   1.219  1.00  0.00           O  
HETATM    3  C   UNL     1       6.764   0.541   0.549  1.00  0.00           C  
HETATM    4  C   UNL     1       6.344   1.651  -0.170  1.00  0.00           C  
HETATM    5  C   UNL     1       5.138   1.619  -0.855  1.00  0.00           C  
HETATM    6  O   UNL     1       4.728   2.706  -1.559  1.00  0.00           O  
HETATM    7  C   UNL     1       4.351   0.478  -0.820  1.00  0.00           C  
HETATM    8  C   UNL     1       4.771  -0.633  -0.101  1.00  0.00           C  
HETATM    9  N   UNL     1       3.979  -1.784  -0.066  1.00  0.00           N  
HETATM   10  C   UNL     1       2.593  -1.676  -0.117  1.00  0.00           C  
HETATM   11  C   UNL     1       1.835  -2.708  -0.663  1.00  0.00           C  
HETATM   12  C   UNL     1       0.464  -2.605  -0.715  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.168  -1.460  -0.220  1.00  0.00           C  
HETATM   14  C   UNL     1       0.595  -0.425   0.327  1.00  0.00           C  
HETATM   15  C   UNL     1       1.966  -0.537   0.382  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.638  -1.346  -0.275  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.300  -2.247  -0.752  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.246  -0.242   0.203  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.642  -0.177   0.250  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.385  -1.325   0.493  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.762  -1.253   0.536  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.408  -0.042   0.340  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.914  -0.011   0.392  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.396   1.431   0.557  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.746   2.263  -0.467  1.00  0.00           N1+
HETATM   26  C   UNL     1      -6.334   2.437  -0.114  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.673   1.101   0.100  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.290   1.034   0.059  1.00  0.00           C  
HETATM   29  C   UNL     1       5.981  -0.602   0.580  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.817   1.809  -1.365  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.198   3.164  -0.506  1.00  0.00           H  
HETATM   32  H   UNL     1       8.952   1.987   0.097  1.00  0.00           H  
HETATM   33  H   UNL     1       8.117   2.607   1.541  1.00  0.00           H  
HETATM   34  H   UNL     1       9.623   1.674   1.716  1.00  0.00           H  
HETATM   35  H   UNL     1       6.957   2.540  -0.197  1.00  0.00           H  
HETATM   36  H   UNL     1       5.024   2.713  -2.480  1.00  0.00           H  
HETATM   37  H   UNL     1       3.412   0.453  -1.353  1.00  0.00           H  
HETATM   38  H   UNL     1       4.395  -2.658  -0.006  1.00  0.00           H  
HETATM   39  H   UNL     1       2.324  -3.592  -1.046  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.123  -3.406  -1.139  1.00  0.00           H  
HETATM   41  H   UNL     1       0.110   0.460   0.711  1.00  0.00           H  
HETATM   42  H   UNL     1       2.556   0.261   0.809  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.715   0.508   0.515  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.886  -2.271   0.647  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.340  -2.145   0.724  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.318  -0.424  -0.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.260  -0.607   1.237  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.478   1.472   0.430  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.128   1.795   1.549  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.825   2.965  -0.921  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.262   3.024   0.801  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.714   1.929  -0.126  1.00  0.00           H  
HETATM   53  H   UNL     1       6.310  -1.467   1.136  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   36                                                 
CONECT    7    5    5    8   37                                       
CONECT    8    7    9   29   29                                       
CONECT    9    8   10   38                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   41                                       
CONECT   15   10   14   14   42                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   43                                            
CONECT   19   18   20   20   28                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   48   49                                       
CONECT   25   24   26   30   31                                       
CONECT   26   25   27   50   51                                       
CONECT   27   22   26   28   28                                       
CONECT   28   19   27   27   52                                       
CONECT   29    3    8    8   53                                       
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
