COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.328   1.078  -0.382  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.674   0.666  -0.117  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.777   0.329   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.160  -0.095   0.374  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.392  -1.374  -0.219  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.630  -1.912  -0.059  1.00  0.00           C  
HETATM    7  C   UNL     1       0.819   0.653  -1.372  1.00  0.00           C  
HETATM    8  N   UNL     1       2.626  -0.967  -1.249  1.00  0.00           N  
HETATM    9  O   UNL     1       2.552   2.265  -1.149  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.863   2.303   0.099  1.00  0.00           C  
HETATM   11  C   UNL     1       1.739  -0.238  -2.165  1.00  0.00           C  
HETATM   12  N   UNL     1       4.856  -3.831   0.898  1.00  0.00           N  
HETATM   13  C   UNL     1       3.690  -1.661  -1.986  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.476   0.253  -1.118  1.00  0.00           C  
HETATM   15  C   UNL     1       0.433   2.696  -0.159  1.00  0.00           C  
HETATM   16  C   UNL     1       1.276   1.874  -0.897  1.00  0.00           C  
HETATM   17  C   UNL     1       4.674  -2.286  -0.996  1.00  0.00           C  
HETATM   18  C   UNL     1       3.927  -3.271  -0.093  1.00  0.00           C  
HETATM   19  C   UNL     1       4.170  -4.783   1.783  1.00  0.00           C  
HETATM   20  C   UNL     1       5.050  -5.070   3.001  1.00  0.00           C  
HETATM   21  C   UNL     1       6.010  -4.460   0.242  1.00  0.00           C  
HETATM   22  C   UNL     1       5.520  -5.529  -0.737  1.00  0.00           C  
HETATM   23  C   UNL     1       2.794  -2.534   0.627  1.00  0.00           C  
HETATM   24  C   UNL     1       1.864  -1.901  -0.411  1.00  0.00           C  
HETATM   25  I   UNL     1       1.132   4.535   0.561  1.00  0.00           I  
HETATM   26  C   UNL     1      -6.925  -3.151  -0.609  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.184  -3.697  -0.445  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.149  -3.008   0.266  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.858  -1.773   0.814  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.599  -1.226   0.659  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.518   2.943   0.672  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.831  -0.698  -1.487  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.314  -0.160   1.451  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.853   0.633  -0.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.171  -3.689  -1.164  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.370  -0.263   1.091  1.00  0.00           H  
HETATM   37  H   UNL     1       1.148  -0.950  -2.742  1.00  0.00           H  
HETATM   38  H   UNL     1       2.338   0.370  -2.843  1.00  0.00           H  
HETATM   39  H   UNL     1       3.251  -2.444  -2.605  1.00  0.00           H  
HETATM   40  H   UNL     1       4.216  -0.948  -2.621  1.00  0.00           H  
HETATM   41  H   UNL     1       1.064  -1.363   0.098  1.00  0.00           H  
HETATM   42  H   UNL     1       1.434  -2.683  -1.037  1.00  0.00           H  
HETATM   43  H   UNL     1       2.655   2.768  -1.969  1.00  0.00           H  
HETATM   44  H   UNL     1       3.511  -4.077  -0.698  1.00  0.00           H  
HETATM   45  H   UNL     1       3.223  -4.356   2.112  1.00  0.00           H  
HETATM   46  H   UNL     1       3.983  -5.711   1.243  1.00  0.00           H  
HETATM   47  H   UNL     1       6.576  -3.703  -0.301  1.00  0.00           H  
HETATM   48  H   UNL     1       6.649  -4.922   0.994  1.00  0.00           H  
HETATM   49  H   UNL     1       5.455  -2.814  -1.543  1.00  0.00           H  
HETATM   50  H   UNL     1       5.124  -1.502  -0.386  1.00  0.00           H  
HETATM   51  H   UNL     1       2.232  -3.239   1.238  1.00  0.00           H  
HETATM   52  H   UNL     1       3.214  -1.754   1.262  1.00  0.00           H  
HETATM   53  H   UNL     1       5.968  -5.561   2.679  1.00  0.00           H  
HETATM   54  H   UNL     1       5.295  -4.133   3.502  1.00  0.00           H  
HETATM   55  H   UNL     1       4.513  -5.721   3.691  1.00  0.00           H  
HETATM   56  H   UNL     1       6.372  -5.954  -1.267  1.00  0.00           H  
HETATM   57  H   UNL     1       5.004  -6.316  -0.187  1.00  0.00           H  
HETATM   58  H   UNL     1       4.834  -5.078  -1.455  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.414  -4.661  -0.873  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.133  -3.436   0.393  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.614  -1.237   1.369  1.00  0.00           H  
CONECT    1    2   10   14   14                                       
CONECT    2    1    3    3    3                                       
CONECT    3    2    2    2    4                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4    6                                                 
CONECT    6    5   26   30   30                                       
CONECT    7   11   14   16   16                                       
CONECT    8   11   13   24                                            
CONECT    9   16   43                                                 
CONECT   10    1   15   15   31                                       
CONECT   11    7    8   37   38                                       
CONECT   12   18   19   21                                            
CONECT   13    8   17   39   40                                       
CONECT   14    1    1    7   32                                       
CONECT   15   10   10   16   25                                       
CONECT   16    7    7    9   15                                       
CONECT   17   13   18   49   50                                       
CONECT   18   12   17   23   44                                       
CONECT   19   12   20   45   46                                       
CONECT   20   19   53   54   55                                       
CONECT   21   12   22   47   48                                       
CONECT   22   21   56   57   58                                       
CONECT   23   18   24   51   52                                       
CONECT   24    8   23   41   42                                       
CONECT   25   15                                                      
CONECT   26    6   27   27   35                                       
CONECT   27   26   26   28   59                                       
CONECT   28   27   29   29   60                                       
CONECT   29   28   28   30   61                                       
CONECT   30    6    6   29   36                                       
CONECT   31   10                                                      
CONECT   32   14                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35   26                                                      
CONECT   36   30                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43    9                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
