COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.082  -0.317   6.899  1.00  0.00           C  
HETATM    2  C   UNL     1       0.693  -0.217   5.478  1.00  0.00           C  
HETATM    3  C   UNL     1       1.664  -0.390   4.475  1.00  0.00           C  
HETATM    4  C   UNL     1       1.330  -0.302   3.162  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.036   2.789  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.989   0.139   3.791  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.625   0.045   5.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.322  -0.196  -3.595  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.665  -0.861  -4.902  1.00  0.00           C  
HETATM   10  C   UNL     1       0.301  -0.421  -5.999  1.00  0.00           C  
HETATM   11  C   UNL     1       1.733  -0.614  -5.487  1.00  0.00           C  
HETATM   12  C   UNL     1       1.998   0.419  -4.395  1.00  0.00           C  
HETATM   13  C   UNL     1       0.903   0.387  -3.359  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.091  -0.478  -5.304  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.579  -2.379  -4.733  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337   0.111  -3.723  1.00  0.00           C  
HETATM   17  C   UNL     1       2.057   1.813  -5.023  1.00  0.00           C  
HETATM   18  O   UNL     1       0.247  -0.168   7.769  1.00  0.00           O  
HETATM   19  O   UNL     1       2.362  -0.573   7.231  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.365   0.052   1.437  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.683   0.320   1.102  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.654   0.492   2.106  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.320   0.405   3.418  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.035   0.409  -1.371  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.292  -0.185  -2.605  1.00  0.00           C  
HETATM   26  C   UNL     1       1.164   0.981  -2.129  1.00  0.00           C  
HETATM   27  C   UNL     1       0.210   0.996  -1.138  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.072   0.419  -0.319  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.246   0.510  -0.623  1.00  0.00           O  
HETATM   30  H   UNL     1       2.687  -0.594   4.753  1.00  0.00           H  
HETATM   31  H   UNL     1       2.087  -0.436   2.403  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.367   0.177   5.916  1.00  0.00           H  
HETATM   33  H   UNL     1       0.134   0.630  -6.236  1.00  0.00           H  
HETATM   34  H   UNL     1       0.144  -1.027  -6.892  1.00  0.00           H  
HETATM   35  H   UNL     1       2.438  -0.472  -6.306  1.00  0.00           H  
HETATM   36  H   UNL     1       1.844  -1.618  -5.077  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.785  -0.791  -4.523  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.155   0.601  -5.434  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.351  -0.974  -6.239  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.268  -2.697  -3.951  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.846  -2.865  -5.672  1.00  0.00           H  
HETATM   42  H   UNL     1       0.437  -2.656  -4.456  1.00  0.00           H  
HETATM   43  H   UNL     1       3.534   0.853  -2.949  1.00  0.00           H  
HETATM   44  H   UNL     1       3.299  -0.881  -3.274  1.00  0.00           H  
HETATM   45  H   UNL     1       4.133   0.143  -4.468  1.00  0.00           H  
HETATM   46  H   UNL     1       2.255   2.553  -4.248  1.00  0.00           H  
HETATM   47  H   UNL     1       2.854   1.843  -5.767  1.00  0.00           H  
HETATM   48  H   UNL     1       1.104   2.036  -5.503  1.00  0.00           H  
HETATM   49  H   UNL     1       2.617  -0.638   8.162  1.00  0.00           H  
HETATM   50  H   UNL     1       0.375  -0.083   0.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.677   0.696   1.828  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.076   0.540   4.177  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.254  -0.640  -2.791  1.00  0.00           H  
HETATM   54  H   UNL     1       2.127   1.436  -1.949  1.00  0.00           H  
HETATM   55  H   UNL     1       0.423   1.459  -0.185  1.00  0.00           H  
CONECT    1    2   18   18   19                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   20                                       
CONECT    6    5    7    7   23                                       
CONECT    7    2    6    6   32                                       
CONECT    8    9   13   13   25                                       
CONECT    9    8   10   14   15                                       
CONECT   10    9   11   33   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11   13   16   17                                       
CONECT   13    8    8   12   26                                       
CONECT   14    9   37   38   39                                       
CONECT   15    9   40   41   42                                       
CONECT   16   12   43   44   45                                       
CONECT   17   12   46   47   48                                       
CONECT   18    1    1                                                 
CONECT   19    1   49                                                 
CONECT   20    5   21   21   50                                       
CONECT   21   20   20   22   28                                       
CONECT   22   21   23   23   51                                       
CONECT   23    6   22   22   52                                       
CONECT   24   25   25   27   28                                       
CONECT   25    8   24   24   53                                       
CONECT   26   13   27   27   54                                       
CONECT   27   24   26   26   55                                       
CONECT   28   21   24   29   29                                       
CONECT   29   28   28                                                 
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
