COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.225   1.929   1.255  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.271   3.056   0.325  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.632   4.224   1.268  1.00  0.00           C  
HETATM    4  C   UNL     1       0.370  -1.647  -2.910  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.908   3.577   2.577  1.00  0.00           N  
HETATM    6  C   UNL     1       0.122   2.511   2.681  1.00  0.00           C  
HETATM    7  C   UNL     1       4.356   0.141   1.937  1.00  0.00           C  
HETATM    8  N   UNL     1       1.620   1.587   0.943  1.00  0.00           N  
HETATM    9  C   UNL     1       1.926   0.208   1.345  1.00  0.00           C  
HETATM   10  C   UNL     1       3.362  -0.105   1.010  1.00  0.00           C  
HETATM   11  C   UNL     1       5.678  -0.147   1.627  1.00  0.00           C  
HETATM   12  O   UNL     1       6.658   0.094   2.537  1.00  0.00           O  
HETATM   13  C   UNL     1       5.997  -0.683   0.388  1.00  0.00           C  
HETATM   14  C   UNL     1       4.998  -0.928  -0.535  1.00  0.00           C  
HETATM   15  C   UNL     1       3.682  -0.639  -0.225  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.289   0.621   2.073  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.275  -0.687   2.520  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.659  -1.711   1.674  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.643  -3.137   2.161  1.00  0.00           C  
HETATM   20  F   UNL     1      -3.885  -3.451   2.724  1.00  0.00           F  
HETATM   21  F   UNL     1      -2.389  -3.994   1.086  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.642  -3.289   3.126  1.00  0.00           F  
HETATM   23  N   UNL     1      -1.454   2.617  -0.419  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.703   2.331   0.293  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.687   0.905   0.780  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.057  -1.426   0.381  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.071  -0.118  -0.066  1.00  0.00           C  
HETATM   28  C   UNL     1       0.941  -2.982  -3.186  1.00  0.00           C  
HETATM   29  S   UNL     1      -1.382   2.445  -2.064  1.00  0.00           S  
HETATM   30  N   UNL     1       2.277  -3.159  -3.176  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.726   2.409  -2.524  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.428   3.393  -2.525  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.701   0.854  -2.392  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.540  -0.212  -2.661  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.013  -1.461  -2.919  1.00  0.00           C  
HETATM   36  O   UNL     1       0.206  -3.921  -3.422  1.00  0.00           O  
HETATM   37  C   UNL     1       1.211  -0.568  -2.632  1.00  0.00           C  
HETATM   38  C   UNL     1       0.671   0.675  -2.376  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.412   1.050   1.158  1.00  0.00           H  
HETATM   40  H   UNL     1       0.520   3.355  -0.362  1.00  0.00           H  
HETATM   41  H   UNL     1       0.206   4.915   1.355  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.520   4.743   0.907  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.820   4.239   3.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.197   1.741   3.383  1.00  0.00           H  
HETATM   45  H   UNL     1       1.078   2.935   2.989  1.00  0.00           H  
HETATM   46  H   UNL     1       4.106   0.562   2.899  1.00  0.00           H  
HETATM   47  H   UNL     1       1.817   1.731  -0.036  1.00  0.00           H  
HETATM   48  H   UNL     1       1.772   0.100   2.419  1.00  0.00           H  
HETATM   49  H   UNL     1       1.270  -0.480   0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       6.840  -0.651   3.126  1.00  0.00           H  
HETATM   51  H   UNL     1       7.024  -0.908   0.145  1.00  0.00           H  
HETATM   52  H   UNL     1       5.246  -1.345  -1.500  1.00  0.00           H  
HETATM   53  H   UNL     1       2.903  -0.831  -0.947  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.993   1.421   2.736  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.964  -0.909   3.530  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.798   3.005   1.145  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.547   2.476  -0.381  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.357  -2.226  -0.280  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.382   0.104  -1.076  1.00  0.00           H  
HETATM   60  H   UNL     1       2.864  -2.410  -2.987  1.00  0.00           H  
HETATM   61  H   UNL     1       2.652  -4.035  -3.357  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.610  -0.067  -2.668  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.670  -2.293  -3.129  1.00  0.00           H  
HETATM   64  H   UNL     1       2.282  -0.707  -2.618  1.00  0.00           H  
HETATM   65  H   UNL     1       1.321   1.512  -2.165  1.00  0.00           H  
CONECT    1    2    6    8   39                                       
CONECT    2    1    3   23   40                                       
CONECT    3    2    5   41   42                                       
CONECT    4   28   35   35   37                                       
CONECT    5    3    6   43                                            
CONECT    6    1    5   44   45                                       
CONECT    7   10   10   11   46                                       
CONECT    8    1    9   47                                            
CONECT    9    8   10   48   49                                       
CONECT   10    7    7    9   15                                       
CONECT   11    7   12   13   13                                       
CONECT   12   11   50                                                 
CONECT   13   11   11   14   51                                       
CONECT   14   13   15   15   52                                       
CONECT   15   10   14   14   53                                       
CONECT   16   17   17   25   54                                       
CONECT   17   16   16   18   55                                       
CONECT   18   17   19   26   26                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    2   24   29                                            
CONECT   24   23   25   56   57                                       
CONECT   25   16   24   27   27                                       
CONECT   26   18   18   27   58                                       
CONECT   27   25   25   26   59                                       
CONECT   28    4   30   36   36                                       
CONECT   29   23   31   31   32                                       
CONECT   29   32   33                                                 
CONECT   30   28   60   61                                            
CONECT   31   29   29                                                 
CONECT   32   29   29                                                 
CONECT   33   29   34   34   38                                       
CONECT   34   33   33   35   62                                       
CONECT   35    4    4   34   63                                       
CONECT   36   28   28                                                 
CONECT   37    4   38   38   64                                       
CONECT   38   33   37   37   65                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
