COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.592  -1.778   0.349  1.00  0.00           C  
HETATM    2  C   UNL     1       3.450  -2.550   0.258  1.00  0.00           C  
HETATM    3  C   UNL     1       2.209  -1.947   0.211  1.00  0.00           C  
HETATM    4  C   UNL     1       2.113  -0.559   0.257  1.00  0.00           C  
HETATM    5  C   UNL     1       0.781   0.094   0.207  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.314   0.435   0.104  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.780   0.269   0.020  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.335  -1.013  -0.054  1.00  0.00           C  
HETATM    9  C   UNL     1       8.795  -0.899  -0.743  1.00  0.00           C  
HETATM   10  C   UNL     1       7.658  -0.582   0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       5.592   0.652   0.494  1.00  0.00           C  
HETATM   12  C   UNL     1       4.920   1.974   0.064  1.00  0.00           C  
HETATM   13  C   UNL     1       3.438   1.720   0.414  1.00  0.00           C  
HETATM   14  C   UNL     1       3.269   0.217   0.349  1.00  0.00           C  
HETATM   15  C   UNL     1       4.504  -0.396   0.395  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.700  -1.174  -0.133  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.536  -0.065  -0.139  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.990   1.225  -0.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.609   1.388   0.020  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.850   2.371  -0.071  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.360  -1.562  -0.409  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.468  -2.266   0.945  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.739  -1.516  -1.071  1.00  0.00           C  
HETATM   24  N   UNL     1       6.700   0.325  -0.414  1.00  0.00           N  
HETATM   25  N   UNL     1       0.548   1.382   0.236  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.412  -0.529   0.119  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.531   3.279  -0.076  1.00  0.00           N  
HETATM   28  O   UNL     1       9.531   0.293  -1.021  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.644   1.596   0.179  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.880  -0.230  -0.216  1.00  0.00           O  
HETATM   31  H   UNL     1       5.560  -2.256   0.390  1.00  0.00           H  
HETATM   32  H   UNL     1       3.528  -3.627   0.222  1.00  0.00           H  
HETATM   33  H   UNL     1       1.316  -2.550   0.139  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.690  -1.879  -0.050  1.00  0.00           H  
HETATM   35  H   UNL     1       9.458  -1.641  -0.298  1.00  0.00           H  
HETATM   36  H   UNL     1       8.379  -1.294  -1.670  1.00  0.00           H  
HETATM   37  H   UNL     1       7.152  -1.505   0.512  1.00  0.00           H  
HETATM   38  H   UNL     1       8.066  -0.105   1.122  1.00  0.00           H  
HETATM   39  H   UNL     1       5.953   0.728   1.520  1.00  0.00           H  
HETATM   40  H   UNL     1       5.315   2.813   0.637  1.00  0.00           H  
HETATM   41  H   UNL     1       5.043   2.141  -1.005  1.00  0.00           H  
HETATM   42  H   UNL     1       3.219   2.082   1.418  1.00  0.00           H  
HETATM   43  H   UNL     1       2.789   2.207  -0.314  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.122  -2.166  -0.190  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.182   2.378   0.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.668  -2.109  -1.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.160  -1.719   1.585  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.835  -3.282   0.798  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.486  -2.298   1.417  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.431  -0.969  -0.431  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.663  -1.014  -2.036  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.106  -2.532  -1.218  1.00  0.00           H  
HETATM   53  H   UNL     1       7.158   1.162  -0.742  1.00  0.00           H  
HETATM   54  H   UNL     1      10.268   0.167  -1.634  1.00  0.00           H  
CONECT    1    2    2   15   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3   14    5                                       
CONECT    5    4   26   25   25                                       
CONECT    6   26   26   29    7                                       
CONECT    7    6   19   19    8                                       
CONECT    8    7   16   16   34                                       
CONECT    9   28   10   35   36                                       
CONECT   10    9   24   37   38                                       
CONECT   11   24   15   12   39                                       
CONECT   12   11   13   40   41                                       
CONECT   13   14   12   42   43                                       
CONECT   14   15   15    4   13                                       
CONECT   15    1   11   14   14                                       
CONECT   16    8    8   17   44                                       
CONECT   17   18   18   16   30                                       
CONECT   18   19   20   17   17                                       
CONECT   19    7    7   18   45                                       
CONECT   20   27   27   27   18                                       
CONECT   21   30   23   22   46                                       
CONECT   22   21   47   48   49                                       
CONECT   23   21   50   51   52                                       
CONECT   24   10   11   53                                            
CONECT   25    5    5   29                                            
CONECT   26    5    6    6                                            
CONECT   27   20   20   20                                            
CONECT   28    9   54                                                 
CONECT   29   25    6                                                 
CONECT   30   17   21                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
