COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.932  -0.675   0.183  1.00  0.00           C  
HETATM    2  N   UNL     1       8.433   0.871   0.686  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.494   0.036  -0.498  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.570  -0.421   0.236  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.386  -1.383   1.212  1.00  0.00           C  
HETATM    6  C   UNL     1       6.942  -2.484  -0.968  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.042  -1.440   0.723  1.00  0.00           C  
HETATM    8  C   UNL     1       8.661  -1.167  -0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       6.372  -0.411  -0.124  1.00  0.00           C  
HETATM   10  C   UNL     1       7.727  -0.169   0.144  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.922   0.105  -0.416  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.643   0.753  -0.503  1.00  0.00           C  
HETATM   13  C   UNL     1       1.686   1.117   0.208  1.00  0.00           C  
HETATM   14  C   UNL     1       0.876   0.576   1.119  1.00  0.00           C  
HETATM   15  C   UNL     1       3.147   1.436   0.400  1.00  0.00           C  
HETATM   16  C   UNL     1       3.991   0.227  -0.007  1.00  0.00           C  
HETATM   17  F   UNL     1      -9.584  -0.644  -1.001  1.00  0.00           F  
HETATM   18  N   UNL     1      -0.366   0.392   0.711  1.00  0.00           N  
HETATM   19  S   UNL     1       0.751   1.393  -1.259  1.00  0.00           S  
HETATM   20  C   UNL     1       7.870   2.132   1.174  1.00  0.00           C  
HETATM   21  N   UNL     1       9.788   0.517   0.691  1.00  0.00           N  
HETATM   22  N   UNL     1       8.222  -2.305  -0.737  1.00  0.00           N  
HETATM   23  N   UNL     1       6.031  -1.571  -0.674  1.00  0.00           N  
HETATM   24  N   UNL     1       5.410   0.537   0.180  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.948   0.131  -0.025  1.00  0.00           C  
HETATM   26  F   UNL     1      -9.696   0.098   1.156  1.00  0.00           F  
HETATM   27  F   UNL     1      -8.844   1.452  -0.474  1.00  0.00           F  
HETATM   28  C   UNL     1      -6.123  -1.892   1.455  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.224  -0.473  -0.256  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.131  -0.013  -0.999  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.762  -0.263   0.732  1.00  0.00           O  
HETATM   32  N   UNL     1      -1.890   0.632  -1.105  1.00  0.00           N  
HETATM   33  H   UNL     1      10.868  -1.201   0.068  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.639   0.785  -1.263  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.229  -1.738   1.785  1.00  0.00           H  
HETATM   36  H   UNL     1       6.620  -3.412  -1.415  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.056  -1.837   0.914  1.00  0.00           H  
HETATM   38  H   UNL     1       1.210   0.308   2.111  1.00  0.00           H  
HETATM   39  H   UNL     1       3.416   2.292  -0.220  1.00  0.00           H  
HETATM   40  H   UNL     1       3.332   1.673   1.447  1.00  0.00           H  
HETATM   41  H   UNL     1       3.722  -0.629   0.613  1.00  0.00           H  
HETATM   42  H   UNL     1       3.805  -0.010  -1.054  1.00  0.00           H  
HETATM   43  H   UNL     1       7.528   2.004   2.201  1.00  0.00           H  
HETATM   44  H   UNL     1       8.634   2.909   1.140  1.00  0.00           H  
HETATM   45  H   UNL     1       7.028   2.423   0.545  1.00  0.00           H  
HETATM   46  H   UNL     1       5.676   1.408   0.516  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.982  -2.644   2.217  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.244   0.222  -1.934  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.018   0.925  -2.020  1.00  0.00           H  
CONECT    1    8   21   21   33                                       
CONECT    2   10   20   21                                            
CONECT    3    4    4   29   34                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4   28   28   35                                       
CONECT    6   22   22   23   36                                       
CONECT    7   28   29   29   37                                       
CONECT    8    1   10   10   22                                       
CONECT    9   10   23   23   24                                       
CONECT   10    2    8    8    9                                       
CONECT   11   30   31   31   32                                       
CONECT   12   18   18   19   32                                       
CONECT   13   14   14   15   19                                       
CONECT   14   13   13   18   38                                       
CONECT   15   13   16   39   40                                       
CONECT   16   15   24   41   42                                       
CONECT   17   25                                                      
CONECT   18   12   12   14                                            
CONECT   19   12   13                                                 
CONECT   20    2   43   44   45                                       
CONECT   21    1    1    2                                            
CONECT   22    6    6    8                                            
CONECT   23    6    9    9                                            
CONECT   24    9   16   46                                            
CONECT   25    4   17   26   27                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28    5    5    7   47                                       
CONECT   29    3    7    7   30                                       
CONECT   30   11   29   48                                            
CONECT   31   11   11                                                 
CONECT   32   11   12   49                                            
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   32                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
