COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1       4.742   2.441   0.707  1.00  0.00           I  
HETATM    2  I   UNL     1       5.487  -2.550  -2.598  1.00  0.00           I  
HETATM    3  I   UNL     1      10.031  -0.500   0.774  1.00  0.00           I  
HETATM    4  O   UNL     1       3.323   0.025   0.769  1.00  0.00           O  
HETATM    5  O   UNL     1       7.680   1.544   2.793  1.00  0.00           O  
HETATM    6  O   UNL     1       8.365   2.732   1.047  1.00  0.00           O  
HETATM    7  N   UNL     1       4.133   0.030  -1.297  1.00  0.00           N  
HETATM    8  C   UNL     1       7.262   0.742   0.520  1.00  0.00           C  
HETATM    9  C   UNL     1       5.948   0.855   0.062  1.00  0.00           C  
HETATM   10  C   UNL     1       5.448  -0.081  -0.830  1.00  0.00           C  
HETATM   11  C   UNL     1       6.250  -1.133  -1.257  1.00  0.00           C  
HETATM   12  C   UNL     1       7.550  -1.248  -0.799  1.00  0.00           C  
HETATM   13  C   UNL     1       8.060  -0.319   0.085  1.00  0.00           C  
HETATM   14  C   UNL     1       3.105   0.028  -0.424  1.00  0.00           C  
HETATM   15  C   UNL     1       1.686   0.029  -0.931  1.00  0.00           C  
HETATM   16  C   UNL     1       7.805   1.738   1.466  1.00  0.00           C  
HETATM   17  C   UNL     1       0.721   0.026   0.256  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.720   0.028  -0.258  1.00  0.00           C  
HETATM   19  I   UNL     1      -4.740   2.442  -0.702  1.00  0.00           I  
HETATM   20  I   UNL     1      -5.491  -2.553   2.598  1.00  0.00           I  
HETATM   21  I   UNL     1     -10.031  -0.496  -0.776  1.00  0.00           I  
HETATM   22  O   UNL     1      -3.323   0.029  -0.771  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.676   1.542  -2.797  1.00  0.00           O  
HETATM   24  O   UNL     1      -8.358   2.732  -1.051  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.132   0.024   1.295  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.260   0.741  -0.524  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.949   0.857  -0.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.447  -0.085   0.828  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.251  -1.136   1.255  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.552  -1.248   0.797  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.060  -0.319  -0.088  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.105   0.026   0.422  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.685   0.025   0.929  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.800   1.737  -1.470  1.00  0.00           C  
HETATM   35  H   UNL     1       8.035   2.197   3.413  1.00  0.00           H  
HETATM   36  H   UNL     1       3.960   0.109  -2.248  1.00  0.00           H  
HETATM   37  H   UNL     1       8.168  -2.068  -1.134  1.00  0.00           H  
HETATM   38  H   UNL     1       1.517   0.921  -1.535  1.00  0.00           H  
HETATM   39  H   UNL     1       1.517  -0.859  -1.539  1.00  0.00           H  
HETATM   40  H   UNL     1       0.890  -0.865   0.860  1.00  0.00           H  
HETATM   41  H   UNL     1       0.890   0.915   0.865  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.889   0.919  -0.862  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.890  -0.861  -0.867  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.030   2.195  -3.417  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.960   0.098   2.247  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.171  -2.067   1.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.516  -0.867   1.533  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.516   0.913   1.537  1.00  0.00           H  
CONECT    1    9                                                      
CONECT    2   11                                                      
CONECT    3   13                                                      
CONECT    4   14   14                                                 
CONECT    5   16   35                                                 
CONECT    6   16   16                                                 
CONECT    7   10   14   36                                            
CONECT    8    9    9   13   16                                       
CONECT    9    1    8    8   10                                       
CONECT   10    7    9   11   11                                       
CONECT   11    2   10   10   12                                       
CONECT   12   11   13   13   37                                       
CONECT   13    3    8   12   12                                       
CONECT   14    4    4    7   15                                       
CONECT   15   14   17   38   39                                       
CONECT   16    5    6    6    8                                       
CONECT   17   15   18   40   41                                       
CONECT   18   17   33   42   43                                       
CONECT   19   27                                                      
CONECT   20   29                                                      
CONECT   21   31                                                      
CONECT   22   32   32                                                 
CONECT   23   34   44                                                 
CONECT   24   34   34                                                 
CONECT   25   28   32   45                                            
CONECT   26   27   27   31   34                                       
CONECT   27   19   26   26   28                                       
CONECT   28   25   27   29   29                                       
CONECT   29   20   28   28   30                                       
CONECT   30   29   31   31   46                                       
CONECT   31   21   26   30   30                                       
CONECT   32   22   22   25   33                                       
CONECT   33   18   32   47   48                                       
CONECT   34   23   24   24   26                                       
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   30                                                      
CONECT   47   33                                                      
CONECT   48   33                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
