COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.856   3.620   3.644  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.857   2.468   3.518  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.133   1.692   2.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.134   0.540   2.103  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.406  -0.224   0.833  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.238  -1.266   0.726  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.272  -1.740  -0.537  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.964  -2.783  -1.141  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.792  -3.035  -2.486  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.933  -2.257  -3.247  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.238  -1.219  -2.665  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.404  -0.955  -1.309  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.846   0.047  -0.379  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.884   1.112  -0.694  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.278   2.181  -1.123  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.439   0.887  -0.490  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.974  -0.374  -0.106  1.00  0.00           C  
HETATM   18  C   UNL     1       0.374  -0.581   0.083  1.00  0.00           C  
HETATM   19  I   UNL     1       1.073  -2.471   0.658  1.00  0.00           I  
HETATM   20  C   UNL     1      -0.532   1.932  -0.686  1.00  0.00           C  
HETATM   21  C   UNL     1       0.815   1.717  -0.494  1.00  0.00           C  
HETATM   22  I   UNL     1       2.175   3.283  -0.786  1.00  0.00           I  
HETATM   23  C   UNL     1       1.273   0.463  -0.107  1.00  0.00           C  
HETATM   24  O   UNL     1       2.601   0.255   0.080  1.00  0.00           O  
HETATM   25  C   UNL     1       3.358  -0.171  -1.054  1.00  0.00           C  
HETATM   26  C   UNL     1       4.823  -0.352  -0.652  1.00  0.00           C  
HETATM   27  N   UNL     1       4.932  -1.446   0.322  1.00  0.00           N  
HETATM   28  C   UNL     1       4.577  -2.733  -0.290  1.00  0.00           C  
HETATM   29  C   UNL     1       4.370  -3.780   0.806  1.00  0.00           C  
HETATM   30  C   UNL     1       6.277  -1.496   0.909  1.00  0.00           C  
HETATM   31  C   UNL     1       6.425  -0.377   1.943  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.750   4.288   2.789  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.870   3.221   3.670  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.659   4.173   4.563  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.843   2.867   3.492  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.963   1.801   4.374  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.147   1.293   2.255  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.027   2.360   1.374  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.120   0.939   2.077  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.240  -0.127   2.959  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.635  -3.395  -0.558  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.332  -3.847  -2.950  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.807  -2.467  -4.299  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.569  -0.613  -3.258  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.672  -1.186   0.042  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.887   2.907  -0.987  1.00  0.00           H  
HETATM   47  H   UNL     1       2.962  -1.119  -1.419  1.00  0.00           H  
HETATM   48  H   UNL     1       3.287   0.579  -1.841  1.00  0.00           H  
HETATM   49  H   UNL     1       5.415  -0.591  -1.535  1.00  0.00           H  
HETATM   50  H   UNL     1       5.193   0.571  -0.205  1.00  0.00           H  
HETATM   51  H   UNL     1       3.657  -2.621  -0.864  1.00  0.00           H  
HETATM   52  H   UNL     1       5.381  -3.055  -0.952  1.00  0.00           H  
HETATM   53  H   UNL     1       5.288  -3.888   1.383  1.00  0.00           H  
HETATM   54  H   UNL     1       3.562  -3.461   1.465  1.00  0.00           H  
HETATM   55  H   UNL     1       4.111  -4.736   0.352  1.00  0.00           H  
HETATM   56  H   UNL     1       6.427  -2.460   1.395  1.00  0.00           H  
HETATM   57  H   UNL     1       7.022  -1.365   0.124  1.00  0.00           H  
HETATM   58  H   UNL     1       6.200   0.581   1.475  1.00  0.00           H  
HETATM   59  H   UNL     1       5.733  -0.550   2.767  1.00  0.00           H  
HETATM   60  H   UNL     1       7.446  -0.365   2.322  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    6    4   13   13                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   12   12                                       
CONECT    8    9    9    7   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9   11   11   43                                       
CONECT   11   10   10   12   44                                       
CONECT   12    7    7   13   11                                       
CONECT   13    5    5   12   14                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   20   20                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17   23                                       
CONECT   19   18                                                      
CONECT   20   16   16   21   46                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21                                                      
CONECT   23   18   24   21   21                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   47   48                                       
CONECT   26   25   27   49   50                                       
CONECT   27   26   30   28                                            
CONECT   28   27   29   51   52                                       
CONECT   29   28   53   54   55                                       
CONECT   30   27   31   56   57                                       
CONECT   31   30   58   59   60                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
