COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.358   0.015   2.423  1.00  0.00           O  
HETATM    2  C   UNL     1       7.059   1.108   1.990  1.00  0.00           C  
HETATM    3  C   UNL     1       8.106   2.186   1.878  1.00  0.00           C  
HETATM    4  N   UNL     1       5.792   1.357   1.604  1.00  0.00           N  
HETATM    5  C   UNL     1       4.775   0.307   1.707  1.00  0.00           C  
HETATM    6  C   UNL     1       4.188   0.303   3.121  1.00  0.00           C  
HETATM    7  C   UNL     1       3.678   0.570   0.709  1.00  0.00           C  
HETATM    8  O   UNL     1       3.739   1.539  -0.018  1.00  0.00           O  
HETATM    9  N   UNL     1       2.628  -0.271   0.623  1.00  0.00           N  
HETATM   10  C   UNL     1       1.561  -0.016  -0.348  1.00  0.00           C  
HETATM   11  C   UNL     1       1.955  -0.603  -1.705  1.00  0.00           C  
HETATM   12  C   UNL     1       3.162   0.127  -2.237  1.00  0.00           C  
HETATM   13  C   UNL     1       4.432  -0.324  -1.932  1.00  0.00           C  
HETATM   14  C   UNL     1       5.539   0.345  -2.420  1.00  0.00           C  
HETATM   15  C   UNL     1       5.375   1.466  -3.213  1.00  0.00           C  
HETATM   16  C   UNL     1       4.104   1.917  -3.518  1.00  0.00           C  
HETATM   17  C   UNL     1       2.998   1.245  -3.033  1.00  0.00           C  
HETATM   18  C   UNL     1       0.265  -0.670   0.134  1.00  0.00           C  
HETATM   19  O   UNL     1       0.427  -2.090   0.153  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.877  -0.299  -0.814  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.144  -0.792  -0.268  1.00  0.00           N  
HETATM   22  S   UNL     1      -2.788  -0.093   1.089  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.502  -1.118   1.767  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.740   0.654   1.691  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.990   1.078   0.552  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.324   0.887   0.856  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.269   1.807   0.435  1.00  0.00           C  
HETATM   28  F   UNL     1      -7.573   1.620   0.733  1.00  0.00           F  
HETATM   29  C   UNL     1      -3.595   2.193  -0.169  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.290   2.381  -0.461  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.539   3.113  -0.592  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.876   2.920  -0.292  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.797   3.818  -0.704  1.00  0.00           F  
HETATM   34  C   UNL     1      -2.842  -1.901  -0.922  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.243  -3.208  -0.469  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.549  -3.842   0.664  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.869  -5.031   0.869  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.011  -5.361  -0.097  1.00  0.00           C  
HETATM   39  S   UNL     1      -1.038  -4.133  -1.356  1.00  0.00           S  
HETATM   40  H   UNL     1       9.063   1.801   2.230  1.00  0.00           H  
HETATM   41  H   UNL     1       8.200   2.495   0.836  1.00  0.00           H  
HETATM   42  H   UNL     1       7.813   3.042   2.485  1.00  0.00           H  
HETATM   43  H   UNL     1       5.553   2.231   1.258  1.00  0.00           H  
HETATM   44  H   UNL     1       5.230  -0.661   1.500  1.00  0.00           H  
HETATM   45  H   UNL     1       3.733   1.271   3.328  1.00  0.00           H  
HETATM   46  H   UNL     1       3.432  -0.479   3.198  1.00  0.00           H  
HETATM   47  H   UNL     1       4.982   0.112   3.843  1.00  0.00           H  
HETATM   48  H   UNL     1       2.579  -1.046   1.204  1.00  0.00           H  
HETATM   49  H   UNL     1       1.411   1.059  -0.447  1.00  0.00           H  
HETATM   50  H   UNL     1       2.192  -1.660  -1.588  1.00  0.00           H  
HETATM   51  H   UNL     1       1.126  -0.491  -2.403  1.00  0.00           H  
HETATM   52  H   UNL     1       4.560  -1.200  -1.313  1.00  0.00           H  
HETATM   53  H   UNL     1       6.532  -0.007  -2.182  1.00  0.00           H  
HETATM   54  H   UNL     1       6.240   1.989  -3.593  1.00  0.00           H  
HETATM   55  H   UNL     1       3.977   2.793  -4.137  1.00  0.00           H  
HETATM   56  H   UNL     1       2.005   1.595  -3.275  1.00  0.00           H  
HETATM   57  H   UNL     1       0.032  -0.318   1.139  1.00  0.00           H  
HETATM   58  H   UNL     1       0.747  -2.460  -0.681  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.923   0.784  -0.920  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.701  -0.753  -1.789  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.630   0.020   1.422  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.231   3.982  -1.155  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.898  -1.874  -0.655  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.737  -1.809  -2.003  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.272  -3.458   1.368  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.022  -5.644   1.745  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.396  -6.249  -0.107  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   40   41   42                                       
CONECT    4    2    5   43                                            
CONECT    5    4    6    7   44                                       
CONECT    6    5   45   46   47                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   48                                            
CONECT   10    9   11   18   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   17   55                                       
CONECT   17   12   16   16   56                                       
CONECT   18   10   20   19   57                                       
CONECT   19   18   58                                                 
CONECT   20   18   21   59   60                                       
CONECT   21   20   22   34                                            
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   26   29                                       
CONECT   26   25   25   27   61                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27                                                      
CONECT   29   25   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   62                                       
CONECT   32   27   27   31   33                                       
CONECT   33   32                                                      
CONECT   34   21   35   63   64                                       
CONECT   35   34   39   36   36                                       
CONECT   36   35   35   37   65                                       
CONECT   37   36   38   38   66                                       
CONECT   38   37   37   39   67                                       
CONECT   39   35   38                                                 
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   26                                                      
CONECT   62   31                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
