COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.230  -0.263  -4.350  1.00  0.00           C  
HETATM    2  C   UNL     1       4.068   0.400  -3.260  1.00  0.00           C  
HETATM    3  C   UNL     1       3.582  -0.106  -1.897  1.00  0.00           C  
HETATM    4  C   UNL     1       2.198   0.482  -1.633  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.081   0.379  -2.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.343   0.282  -3.553  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.146   0.067  -4.632  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.602  -0.268  -5.870  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.257  -0.390  -6.035  1.00  0.00           C  
HETATM   10  N   UNL     1       0.925  -0.289  -5.073  1.00  0.00           N  
HETATM   11  C   UNL     1       1.758  -0.095  -4.064  1.00  0.00           C  
HETATM   12  C   UNL     1       1.287   0.243  -2.808  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.954   0.159  -3.687  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.397  -0.176  -4.944  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.578   0.717  -1.348  1.00  0.00           N  
HETATM   16  I   UNL     1       0.537  -0.067   4.594  1.00  0.00           I  
HETATM   17  C   UNL     1      -0.970  -0.539  -0.696  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.401  -0.256   0.719  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.472  -0.279   1.742  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.869  -0.025   3.042  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.193   0.261   3.317  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.121   0.288   2.293  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.725   0.029   0.994  1.00  0.00           C  
HETATM   24  H   UNL     1       3.469  -1.326  -4.389  1.00  0.00           H  
HETATM   25  H   UNL     1       3.463   0.192  -5.311  1.00  0.00           H  
HETATM   26  H   UNL     1       5.118   0.139  -3.395  1.00  0.00           H  
HETATM   27  H   UNL     1       3.947   1.482  -3.313  1.00  0.00           H  
HETATM   28  H   UNL     1       3.522  -1.194  -1.910  1.00  0.00           H  
HETATM   29  H   UNL     1       4.273   0.214  -1.118  1.00  0.00           H  
HETATM   30  H   UNL     1       2.290   1.554  -1.462  1.00  0.00           H  
HETATM   31  H   UNL     1       1.771   0.012  -0.746  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.776   0.542  -2.598  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.217   0.159  -4.528  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.258  -0.433  -6.711  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.851  -0.650  -7.002  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.427   1.239  -1.505  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.122  -1.224  -0.688  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.796  -0.991  -1.244  1.00  0.00           H  
HETATM   39  H   UNL     1       0.562  -0.502   1.527  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.503   0.462   4.332  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.156   0.512   2.508  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.450   0.050   0.194  1.00  0.00           H  
CONECT    1    2   11   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3   12   30   31                                       
CONECT    5   12   12   13   15                                       
CONECT    6    7    7   13   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7    9    9   34                                       
CONECT    9    8    8   14   35                                       
CONECT   10   11   11   14                                            
CONECT   11    1   10   10   12                                       
CONECT   12    4    5    5   11                                       
CONECT   13    5    6   14   14                                       
CONECT   14    9   10   13   13                                       
CONECT   15    5   17   36                                            
CONECT   16   20                                                      
CONECT   17   15   18   37   38                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   39                                       
CONECT   20   16   19   21   21                                       
CONECT   21   20   20   22   40                                       
CONECT   22   21   23   23   41                                       
CONECT   23   18   22   22   42                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
