COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.004   0.369  -0.131  1.00  0.00           C  
HETATM    2  O   UNL     1       2.133  -0.197   0.934  1.00  0.00           O  
HETATM    3  C   UNL     1       3.164   0.446  -1.089  1.00  0.00           C  
HETATM    4  I   UNL     1       4.877  -0.556  -0.229  1.00  0.00           I  
HETATM    5  N   UNL     1       0.821   0.924  -0.460  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.309   0.845   0.469  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.600   0.955  -0.300  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.584   1.266  -1.472  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.220   1.989   1.481  1.00  0.00           C  
HETATM   10  C   UNL     1       1.014   1.793   2.364  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.107   3.321   0.736  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.774   0.706   0.314  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.020   0.712  -0.456  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.539   2.123  -0.562  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.928   3.034  -0.044  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.059  -0.163   0.248  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.595  -1.596   0.245  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.824  -2.076   1.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.944  -2.434  -0.798  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.398  -3.390   1.284  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.518  -3.749  -0.801  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.742  -4.226   0.238  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.682   2.372  -1.231  1.00  0.00           N  
HETATM   24  H   UNL     1       2.894  -0.039  -2.027  1.00  0.00           H  
HETATM   25  H   UNL     1       3.412   1.490  -1.278  1.00  0.00           H  
HETATM   26  H   UNL     1       0.717   1.377  -1.311  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.280  -0.109   0.996  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.115   1.995   2.103  1.00  0.00           H  
HETATM   29  H   UNL     1       1.907   1.759   1.740  1.00  0.00           H  
HETATM   30  H   UNL     1       1.094   2.623   3.067  1.00  0.00           H  
HETATM   31  H   UNL     1       0.921   0.858   2.916  1.00  0.00           H  
HETATM   32  H   UNL     1       0.788   3.315   0.114  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.986   3.460   0.106  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.043   4.136   1.457  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.794   0.524   1.267  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.831   0.318  -1.455  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.183   0.177   1.277  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.012  -0.088  -0.276  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.555  -1.423   2.105  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.550  -2.060  -1.610  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.795  -3.765   2.099  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.792  -4.403  -1.615  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.409  -5.253   0.236  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.170   1.643  -1.645  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.016   3.280  -1.299  1.00  0.00           H  
CONECT    1    3    5    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1   24   25    4                                       
CONECT    4    3                                                      
CONECT    5    1    6   26                                            
CONECT    6    9    5    7   27                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7                                                 
CONECT    9   11   10    6   28                                       
CONECT   10    9   29   30   31                                       
CONECT   11    9   32   33   34                                       
CONECT   12    7   13   35                                            
CONECT   13   12   14   16   36                                       
CONECT   14   15   15   13   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   37   38                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17   20   39                                       
CONECT   19   21   21   17   40                                       
CONECT   20   22   22   18   41                                       
CONECT   21   19   19   22   42                                       
CONECT   22   21   20   20   43                                       
CONECT   23   14   44   45                                            
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
