COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.067   1.958  -0.532  1.00  0.00           C  
HETATM    2  C   UNL     1       5.886   2.759   0.213  1.00  0.00           C  
HETATM    3  C   UNL     1       6.465   2.282   1.382  1.00  0.00           C  
HETATM    4  C   UNL     1       6.224   0.996   1.811  1.00  0.00           C  
HETATM    5  C   UNL     1       5.392   0.163   1.068  1.00  0.00           C  
HETATM    6  C   UNL     1       4.809   0.651  -0.116  1.00  0.00           C  
HETATM    7  N   UNL     1       4.966  -1.136   1.226  1.00  0.00           N  
HETATM    8  C   UNL     1       4.141  -1.484   0.191  1.00  0.00           C  
HETATM    9  C   UNL     1       4.004  -0.449  -0.653  1.00  0.00           C  
HETATM   10  C   UNL     1       5.341  -2.016   2.335  1.00  0.00           C  
HETATM   11  C   UNL     1       3.482  -2.829   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1       3.181  -0.424  -1.914  1.00  0.00           C  
HETATM   13  N   UNL     1       1.860   0.140  -1.624  1.00  0.00           N  
HETATM   14  C   UNL     1       1.667   1.592  -1.628  1.00  0.00           C  
HETATM   15  C   UNL     1       0.823  -0.677  -1.354  1.00  0.00           C  
HETATM   16  O   UNL     1       0.983  -1.883  -1.351  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.496  -0.114  -1.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.534  -0.932  -0.793  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.859  -0.366  -0.502  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.949  -1.206  -0.219  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.162  -0.632   0.047  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.357  -1.495   0.356  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.253  -0.780   1.368  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.487   0.640   0.927  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.523   1.336   0.299  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.289   0.755   0.030  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.243   1.526  -0.241  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.056   1.019  -0.496  1.00  0.00           C  
HETATM   29  O   UNL     1      -8.560   1.163   1.141  1.00  0.00           O  
HETATM   30  H   UNL     1       4.617   2.337  -1.438  1.00  0.00           H  
HETATM   31  H   UNL     1       6.086   3.770  -0.110  1.00  0.00           H  
HETATM   32  H   UNL     1       7.110   2.927   1.959  1.00  0.00           H  
HETATM   33  H   UNL     1       6.679   0.634   2.721  1.00  0.00           H  
HETATM   34  H   UNL     1       4.623  -1.904   3.147  1.00  0.00           H  
HETATM   35  H   UNL     1       5.344  -3.051   1.993  1.00  0.00           H  
HETATM   36  H   UNL     1       6.337  -1.748   2.691  1.00  0.00           H  
HETATM   37  H   UNL     1       2.554  -2.852   0.597  1.00  0.00           H  
HETATM   38  H   UNL     1       3.263  -2.998  -1.029  1.00  0.00           H  
HETATM   39  H   UNL     1       4.151  -3.609   0.387  1.00  0.00           H  
HETATM   40  H   UNL     1       3.681   0.190  -2.663  1.00  0.00           H  
HETATM   41  H   UNL     1       3.066  -1.439  -2.294  1.00  0.00           H  
HETATM   42  H   UNL     1       1.296   1.907  -2.603  1.00  0.00           H  
HETATM   43  H   UNL     1       0.945   1.865  -0.858  1.00  0.00           H  
HETATM   44  H   UNL     1       2.618   2.086  -1.424  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.638   0.957  -1.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.392  -2.002  -0.791  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.832  -2.280  -0.211  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.918  -1.681  -0.560  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.021  -2.444   0.775  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.209  -1.300   1.436  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.770  -0.781   2.345  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.691   2.253   0.032  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.227   1.678  -0.708  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5    9                                       
CONECT    7    5    8   10                                            
CONECT    8    7    9    9   11                                       
CONECT    9    6    8    8   12                                       
CONECT   10    7   34   35   36                                       
CONECT   11    8   37   38   39                                       
CONECT   12    9   13   40   41                                       
CONECT   13   12   14   15                                            
CONECT   14   13   42   43   44                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20   28                                       
CONECT   20   19   19   21   47                                       
CONECT   21   20   22   26   26                                       
CONECT   22   21   23   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   52                                            
CONECT   26   21   21   25   27                                       
CONECT   27   26   28   28                                            
CONECT   28   19   27   27   53                                       
CONECT   29   24   24                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
