COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.304  -0.315   0.693  1.00  0.00           O  
HETATM    2  C   UNL     1       3.952   0.237  -0.331  1.00  0.00           C  
HETATM    3  N   UNL     1       4.648   1.291  -0.801  1.00  0.00           N  
HETATM    4  C   UNL     1       5.828   1.771  -0.078  1.00  0.00           C  
HETATM    5  C   UNL     1       6.763   2.494  -1.050  1.00  0.00           C  
HETATM    6  C   UNL     1       5.392   2.738   1.025  1.00  0.00           C  
HETATM    7  O   UNL     1       2.871  -0.208  -0.998  1.00  0.00           O  
HETATM    8  C   UNL     1       2.174  -1.351  -0.436  1.00  0.00           C  
HETATM    9  C   UNL     1       1.087  -0.877   0.492  1.00  0.00           C  
HETATM   10  N   UNL     1       1.129   0.081   1.413  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.027   0.160   1.979  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.834  -0.710   1.470  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.167  -1.391   0.523  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.646  -2.510  -0.363  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.458  -3.509   0.464  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.459  -1.980  -1.412  1.00  0.00           O  
HETATM   17  C   UNL     1       0.580  -3.210  -0.962  1.00  0.00           C  
HETATM   18  C   UNL     1       1.524  -2.165  -1.563  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.232  -0.919   1.857  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.126  -0.074   0.987  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.619  -0.586  -0.199  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.438   0.188  -0.998  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.767   1.478  -0.610  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.573   2.241  -1.395  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.869   3.560  -0.933  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.271   1.990   0.580  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.456   1.211   1.379  1.00  0.00           C  
HETATM   28  H   UNL     1       4.368   1.731  -1.618  1.00  0.00           H  
HETATM   29  H   UNL     1       6.351   0.925   0.367  1.00  0.00           H  
HETATM   30  H   UNL     1       6.240   3.341  -1.495  1.00  0.00           H  
HETATM   31  H   UNL     1       7.641   2.852  -0.512  1.00  0.00           H  
HETATM   32  H   UNL     1       7.074   1.805  -1.835  1.00  0.00           H  
HETATM   33  H   UNL     1       6.270   3.096   1.563  1.00  0.00           H  
HETATM   34  H   UNL     1       4.869   3.585   0.580  1.00  0.00           H  
HETATM   35  H   UNL     1       4.726   2.223   1.717  1.00  0.00           H  
HETATM   36  H   UNL     1       2.878  -1.978   0.111  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.452  -3.103   0.652  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.547  -4.447  -0.085  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.954  -3.690   1.413  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.801  -2.648  -2.020  1.00  0.00           H  
HETATM   41  H   UNL     1       1.101  -3.763  -0.180  1.00  0.00           H  
HETATM   42  H   UNL     1       0.259  -3.901  -1.742  1.00  0.00           H  
HETATM   43  H   UNL     1       0.960  -1.497  -2.214  1.00  0.00           H  
HETATM   44  H   UNL     1       2.299  -2.667  -2.142  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.490  -1.970   1.731  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.366  -0.635   2.901  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.363  -1.591  -0.500  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.823  -0.213  -1.925  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.942   4.125  -0.829  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.520   4.059  -1.651  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.370   3.503   0.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.528   2.993   0.886  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.070   1.608   2.306  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    7    1    1    3                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5    6   29                                       
CONECT    5    4   30   31   32                                       
CONECT    6    4   33   34   35                                       
CONECT    7    8    2                                                 
CONECT    8    9   18    7   36                                       
CONECT    9   10   13   13    8                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10                                            
CONECT   12   19   11   13                                            
CONECT   13   12   14    9    9                                       
CONECT   14   13   15   16   17                                       
CONECT   15   14   37   38   39                                       
CONECT   16   14   40                                                 
CONECT   17   14   18   41   42                                       
CONECT   18    8   17   43   44                                       
CONECT   19   20   12   45   46                                       
CONECT   20   27   19   21   21                                       
CONECT   21   20   20   22   47                                       
CONECT   22   23   23   21   48                                       
CONECT   23   26   24   22   22                                       
CONECT   24   25   23                                                 
CONECT   25   24   49   50   51                                       
CONECT   26   27   27   23   52                                       
CONECT   27   26   26   20   53                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
