COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.276   1.314  -1.478  1.00  0.00           C  
HETATM    2  C   UNL     1       4.056   1.512  -0.615  1.00  0.00           C  
HETATM    3  C   UNL     1       3.691   2.788  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       2.567   2.967   0.574  1.00  0.00           C  
HETATM    5  C   UNL     1       1.823   1.873   0.965  1.00  0.00           C  
HETATM    6  C   UNL     1       2.191   0.595   0.570  1.00  0.00           C  
HETATM    7  C   UNL     1       3.302   0.416  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1       3.729  -0.951  -0.694  1.00  0.00           C  
HETATM    9  C   UNL     1       3.053  -2.028   0.156  1.00  0.00           C  
HETATM   10  N   UNL     1       1.609  -1.750   0.200  1.00  0.00           N  
HETATM   11  C   UNL     1       1.350  -0.567   1.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.107  -0.202   0.920  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.805   0.201   2.045  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.140   0.536   1.950  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.787   0.468   0.712  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.075   0.060  -0.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.740  -0.267  -0.310  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.211   0.823   0.602  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.832   0.757  -0.594  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.247   1.110  -0.704  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.868   1.043  -1.899  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.864   1.464   0.283  1.00  0.00           O  
HETATM   23  C   UNL     1       0.863  -2.914   0.696  1.00  0.00           C  
HETATM   24  C   UNL     1       0.783  -3.975  -0.403  1.00  0.00           C  
HETATM   25  C   UNL     1       0.123  -5.238   0.153  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.047  -3.437  -1.571  1.00  0.00           C  
HETATM   27  O   UNL     1       4.431   3.861  -0.606  1.00  0.00           O  
HETATM   28  H   UNL     1       6.151   1.171  -0.843  1.00  0.00           H  
HETATM   29  H   UNL     1       5.137   0.436  -2.108  1.00  0.00           H  
HETATM   30  H   UNL     1       5.423   2.193  -2.106  1.00  0.00           H  
HETATM   31  H   UNL     1       2.276   3.959   0.885  1.00  0.00           H  
HETATM   32  H   UNL     1       4.147   4.253  -1.443  1.00  0.00           H  
HETATM   33  H   UNL     1       0.948   2.013   1.583  1.00  0.00           H  
HETATM   34  H   UNL     1       1.586  -0.789   2.074  1.00  0.00           H  
HETATM   35  H   UNL     1       3.444  -1.083  -1.738  1.00  0.00           H  
HETATM   36  H   UNL     1       4.812  -1.044  -0.601  1.00  0.00           H  
HETATM   37  H   UNL     1       3.224  -3.007  -0.290  1.00  0.00           H  
HETATM   38  H   UNL     1       3.461  -2.006   1.167  1.00  0.00           H  
HETATM   39  H   UNL     1       1.374  -3.329   1.565  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.144  -2.607   0.979  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.304   0.253   3.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.187  -0.578  -1.184  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.683   0.850   2.829  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.568   0.005  -1.380  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.759   1.138   1.478  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.285   0.442  -1.470  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.801   1.295  -1.872  1.00  0.00           H  
HETATM   48  H   UNL     1       1.788  -4.214  -0.752  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.911  -5.019   0.421  1.00  0.00           H  
HETATM   50  H   UNL     1       0.144  -6.022  -0.603  1.00  0.00           H  
HETATM   51  H   UNL     1       0.665  -5.571   1.038  1.00  0.00           H  
HETATM   52  H   UNL     1       0.424  -2.538  -1.968  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.104  -4.193  -2.354  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.051  -3.198  -1.223  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   11                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   11   23                                            
CONECT   11    6   10   12   34                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   44                                       
CONECT   17   12   12   16   42                                       
CONECT   18   15   19   19   45                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   47                                                 
CONECT   22   20   20                                                 
CONECT   23   10   24   39   40                                       
CONECT   24   23   25   26   48                                       
CONECT   25   24   49   50   51                                       
CONECT   26   24   52   53   54                                       
CONECT   27    3   32                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32   27                                                      
CONECT   33    5                                                      
CONECT   34   11                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
