COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.950   1.667   0.135  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.462   2.879   0.464  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.730   1.559  -0.504  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.228   0.302  -0.824  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.882  -0.798  -0.536  1.00  0.00           N1+
HETATM    6  O   UNL     1      -3.319  -2.049  -0.887  1.00  0.00           O1-
HETATM    7  C   UNL     1      -5.068  -0.767   0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.758  -1.953   0.387  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.963  -1.892   1.017  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.528  -0.668   1.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.889   0.502   1.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.646   0.476   0.441  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.896   0.201  -1.522  1.00  0.00           C  
HETATM   14  C   UNL     1       0.580   0.130  -1.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.772   0.233  -0.484  1.00  0.00           C  
HETATM   16  C   UNL     1       1.703   0.162  -0.154  1.00  0.00           C  
HETATM   17  C   UNL     1       3.056   0.059  -0.862  1.00  0.00           C  
HETATM   18  C   UNL     1       4.179   0.091   0.176  1.00  0.00           C  
HETATM   19  C   UNL     1       5.531  -0.012  -0.532  1.00  0.00           C  
HETATM   20  H   UNL     1      -5.200   3.192   1.341  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.168   2.447  -0.755  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.334  -2.910   0.121  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.489  -2.806   1.248  1.00  0.00           H  
HETATM   24  H   UNL     1      -8.486  -0.647   1.867  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.338   1.445   1.365  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.848  -0.734  -2.080  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.780   1.041  -2.208  1.00  0.00           H  
HETATM   28  H   UNL     1       0.628  -0.805  -1.750  1.00  0.00           H  
HETATM   29  H   UNL     1       0.695   0.970  -1.878  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.820   1.168   0.075  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.888  -0.606   0.202  1.00  0.00           H  
HETATM   32  H   UNL     1       1.656   1.097   0.405  1.00  0.00           H  
HETATM   33  H   UNL     1       1.588  -0.677   0.532  1.00  0.00           H  
HETATM   34  H   UNL     1       3.103  -0.876  -1.421  1.00  0.00           H  
HETATM   35  H   UNL     1       3.171   0.899  -1.548  1.00  0.00           H  
HETATM   36  H   UNL     1       4.131   1.026   0.735  1.00  0.00           H  
HETATM   37  H   UNL     1       4.063  -0.748   0.862  1.00  0.00           H  
HETATM   38  H   UNL     1       5.579  -0.947  -1.091  1.00  0.00           H  
HETATM   39  H   UNL     1       5.647   0.827  -1.218  1.00  0.00           H  
HETATM   40  C   UNL     1       6.654   0.020   0.506  1.00  0.00           C  
HETATM   41  C   UNL     1       8.007  -0.083  -0.202  1.00  0.00           C  
HETATM   42  C   UNL     1       9.130  -0.051   0.836  1.00  0.00           C  
HETATM   43  C   UNL     1      10.482  -0.154   0.128  1.00  0.00           C  
HETATM   44  C   UNL     1      11.606  -0.122   1.166  1.00  0.00           C  
HETATM   45  H   UNL     1       6.607   0.955   1.065  1.00  0.00           H  
HETATM   46  H   UNL     1       6.539  -0.819   1.192  1.00  0.00           H  
HETATM   47  H   UNL     1       8.054  -1.018  -0.761  1.00  0.00           H  
HETATM   48  H   UNL     1       8.122   0.757  -0.888  1.00  0.00           H  
HETATM   49  H   UNL     1       9.082   0.884   1.395  1.00  0.00           H  
HETATM   50  H   UNL     1       9.014  -0.890   1.522  1.00  0.00           H  
HETATM   51  H   UNL     1      10.530  -1.089  -0.431  1.00  0.00           H  
HETATM   52  H   UNL     1      10.598   0.686  -0.558  1.00  0.00           H  
HETATM   53  H   UNL     1      11.558   0.813   1.724  1.00  0.00           H  
HETATM   54  H   UNL     1      11.490  -0.961   1.852  1.00  0.00           H  
HETATM   55  H   UNL     1      12.569  -0.195   0.661  1.00  0.00           H  
CONECT    1    2   12   12    3                                       
CONECT    2    1   20                                                 
CONECT    3    1    4    4   21                                       
CONECT    4    3    3    5   13                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5                                                      
CONECT    7   12    8    5    5                                       
CONECT    8    9    9    7   22                                       
CONECT    9   10    8    8   23                                       
CONECT   10   11   11    9   24                                       
CONECT   11   10   10   12   25                                       
CONECT   12   11    1    1    7                                       
CONECT   13    4   15   26   27                                       
CONECT   14   16   15   28   29                                       
CONECT   15   14   13   30   31                                       
CONECT   16   17   14   32   33                                       
CONECT   17   18   16   34   35                                       
CONECT   18   19   17   36   37                                       
CONECT   19   18   38   39   40                                       
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19   41   45   46                                       
CONECT   41   40   42   47   48                                       
CONECT   42   41   43   49   50                                       
CONECT   43   42   44   51   52                                       
CONECT   44   43   53   54   55                                       
CONECT   45   40                                                      
CONECT   46   40                                                      
CONECT   47   41                                                      
CONECT   48   41                                                      
CONECT   49   42                                                      
CONECT   50   42                                                      
CONECT   51   43                                                      
CONECT   52   43                                                      
CONECT   53   44                                                      
CONECT   54   44                                                      
CONECT   55   44                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
