COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.319  -0.425   1.178  1.00  0.00           N  
HETATM    2  N   UNL     1       3.047   0.595   0.853  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.591  -3.216  -1.230  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.430  -2.015  -0.874  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.066   0.934   0.681  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.682   1.006   0.088  1.00  0.00           C  
HETATM    7  C   UNL     1       0.729   1.274   0.318  1.00  0.00           C  
HETATM    8  C   UNL     1       0.144   3.433  -0.752  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.553   4.661  -2.558  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.001   4.065  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1       4.031  -0.081   1.701  1.00  0.00           C  
HETATM   12  C   UNL     1       7.876   0.323  -0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       7.453   1.286   0.890  1.00  0.00           C  
HETATM   14  C   UNL     1       6.195   1.171   1.461  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.531   1.740   2.537  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.555  -0.683   1.930  1.00  0.00           C  
HETATM   17  C   UNL     1       0.512  -4.155  -1.883  1.00  0.00           C  
HETATM   18  F   UNL     1       0.699  -6.495  -2.203  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.053  -5.419  -1.884  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.390  -5.578  -1.562  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.158  -4.477  -1.236  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.236  -1.644   0.891  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.968  -1.052   1.139  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.608   1.109   0.895  1.00  0.00           N  
HETATM   25  C   UNL     1       1.068   2.763   0.232  1.00  0.00           C  
HETATM   26  C   UNL     1       0.438   3.409  -2.103  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.409   4.023  -3.006  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.382   5.261  -3.440  1.00  0.00           F  
HETATM   29  C   UNL     1      -1.850   4.679  -1.206  1.00  0.00           C  
HETATM   30  C   UNL     1       1.742   0.577   1.190  1.00  0.00           C  
HETATM   31  C   UNL     1       5.406   0.088   1.107  1.00  0.00           C  
HETATM   32  C   UNL     1       5.897  -0.836   0.204  1.00  0.00           C  
HETATM   33  N   UNL     1       7.096  -0.693  -0.324  1.00  0.00           N  
HETATM   34  O   UNL     1       1.383   0.001   2.195  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.535   0.970  -1.115  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.174   1.916   1.852  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.646   0.317   3.087  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.707  -2.725   1.683  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.257  -3.055  -1.556  1.00  0.00           C  
HETATM   40  H   UNL     1       3.334   1.057   0.050  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.105  -1.158  -1.464  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.477  -2.228  -1.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.805   1.189  -0.079  1.00  0.00           H  
HETATM   44  H   UNL     1       0.749   0.838  -0.681  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.233   4.078   0.751  1.00  0.00           H  
HETATM   46  H   UNL     1       4.011   0.354   2.700  1.00  0.00           H  
HETATM   47  H   UNL     1       3.790  -1.142   1.762  1.00  0.00           H  
HETATM   48  H   UNL     1       8.855   0.404  -0.456  1.00  0.00           H  
HETATM   49  H   UNL     1       8.095   2.117   1.142  1.00  0.00           H  
HETATM   50  H   UNL     1       5.838   1.909   2.164  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.620   2.454   3.355  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.328   1.915   1.814  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.415  -0.560   1.272  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.536  -1.699   2.325  1.00  0.00           H  
HETATM   55  H   UNL     1       1.555  -4.029  -2.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.833  -6.563  -1.567  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.201  -4.601  -0.985  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.719   1.075   1.858  1.00  0.00           H  
HETATM   59  H   UNL     1       0.947   3.221   1.214  1.00  0.00           H  
HETATM   60  H   UNL     1       2.099   2.882  -0.100  1.00  0.00           H  
HETATM   61  H   UNL     1       1.331   2.912  -2.452  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.176   4.009  -4.061  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.742   5.176  -0.855  1.00  0.00           H  
HETATM   64  H   UNL     1       5.287  -1.681  -0.080  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.376   1.717   2.568  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.083   2.937   1.481  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.835   0.132   3.792  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.603   0.199   3.595  1.00  0.00           H  
HETATM   69  H   UNL     1       0.183  -2.069  -1.555  1.00  0.00           H  
CONECT    1   22   16    5                                            
CONECT    2   30   11   40                                            
CONECT    3   39   39   21    4                                       
CONECT    4    3   22   41   42                                       
CONECT    5    1   36    6   43                                       
CONECT    6    5   24   35   35                                       
CONECT    7   24   25   30   44                                       
CONECT    8   26   26   10   25                                       
CONECT    9   28   27   27   29                                       
CONECT   10   29   29    8   45                                       
CONECT   11    2   31   46   47                                       
CONECT   12   33   13   13   48                                       
CONECT   13   12   12   14   49                                       
CONECT   14   31   31   13   50                                       
CONECT   15   37   36   51   52                                       
CONECT   16    1   37   53   54                                       
CONECT   17   19   19   39   55                                       
CONECT   18   19                                                      
CONECT   19   18   17   17   20                                       
CONECT   20   19   21   21   56                                       
CONECT   21   20   20    3   57                                       
CONECT   22   23   23   38   38                                       
CONECT   22    4    1                                                 
CONECT   23   22   22                                                 
CONECT   24    6    7   58                                            
CONECT   25    8    7   59   60                                       
CONECT   26   27    8    8   61                                       
CONECT   27    9    9   26   62                                       
CONECT   28    9                                                      
CONECT   29    9   10   10   63                                       
CONECT   30   34   34    7    2                                       
CONECT   31   32   11   14   14                                       
CONECT   32   33   33   31   64                                       
CONECT   33   32   32   12                                            
CONECT   34   30   30                                                 
CONECT   35    6    6                                                 
CONECT   36    5   15   65   66                                       
CONECT   37   16   15   67   68                                       
CONECT   38   22   22                                                 
CONECT   39   17    3    3   69                                       
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
