COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.483  -0.183   0.729  1.00  0.00           C  
HETATM    2  C   UNL     1       5.010   0.539  -0.350  1.00  0.00           C  
HETATM    3  C   UNL     1       5.110   1.920  -0.356  1.00  0.00           C  
HETATM    4  C   UNL     1       5.683   2.576   0.720  1.00  0.00           C  
HETATM    5  C   UNL     1       6.156   1.853   1.798  1.00  0.00           C  
HETATM    6  C   UNL     1       6.057   0.474   1.804  1.00  0.00           C  
HETATM    7  C   UNL     1       4.386  -0.176  -1.521  1.00  0.00           C  
HETATM    8  C   UNL     1       1.968   0.098  -2.129  1.00  0.00           C  
HETATM    9  C   UNL     1       0.780  -0.218  -1.567  1.00  0.00           C  
HETATM   10  C   UNL     1       1.039  -0.847  -0.338  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.272  -1.202   0.262  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.733  -1.150   0.042  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.238  -1.218   0.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.760  -2.030  -1.083  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.601   2.070   0.702  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.545   2.046  -0.695  1.00  0.00           C  
HETATM   17  F   UNL     1       4.648   2.627  -1.411  1.00  0.00           F  
HETATM   18 CL   UNL     1       5.352  -1.914   0.741  1.00  0.00          Cl  
HETATM   19  N   UNL     1       2.945  -0.317  -1.296  1.00  0.00           N  
HETATM   20  N   UNL     1       2.340  -0.902  -0.176  1.00  0.00           N  
HETATM   21  N   UNL     1       0.077  -1.326   0.560  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.776  -0.669  -0.814  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.033  -0.645  -0.921  1.00  0.00           N  
HETATM   24  S   UNL     1      -2.615  -1.746   1.270  1.00  0.00           S  
HETATM   25  N   UNL     1      -5.790   0.138   0.048  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.043   0.847  -1.071  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.148   0.927   1.149  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.091   3.218   1.547  1.00  0.00           C  
HETATM   29  H   UNL     1       5.762   3.653   0.716  1.00  0.00           H  
HETATM   30  H   UNL     1       6.604   2.365   2.637  1.00  0.00           H  
HETATM   31  H   UNL     1       6.426  -0.090   2.647  1.00  0.00           H  
HETATM   32  H   UNL     1       4.557   0.398  -2.431  1.00  0.00           H  
HETATM   33  H   UNL     1       4.835  -1.164  -1.625  1.00  0.00           H  
HETATM   34  H   UNL     1       2.110   0.592  -3.080  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.195  -0.022  -1.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.542  -1.697   1.034  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.848  -2.079  -1.039  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.456  -1.551  -2.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.349  -3.039  -1.042  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.850   2.844  -1.357  1.00  0.00           H  
HETATM   41  H   UNL     1       0.354  -1.744   1.390  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.875   0.517  -2.086  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.162   3.110   1.719  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.567   3.215   2.503  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.899   4.158   1.030  1.00  0.00           H  
CONECT    1    6   18    2    2                                       
CONECT    2    1    1    3    7                                       
CONECT    3    4    4    2   17                                       
CONECT    4    5    3    3   29                                       
CONECT    5    6    6    4   30                                       
CONECT    6    5    5    1   31                                       
CONECT    7   19    2   32   33                                       
CONECT    8    9    9   19   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   21   20   20    9                                       
CONECT   11   22   22   24   21                                       
CONECT   12   23   23   13   24                                       
CONECT   13   14   25   12   36                                       
CONECT   14   13   37   38   39                                       
CONECT   15   28   27   27   16                                       
CONECT   16   15   26   26   40                                       
CONECT   17    3                                                      
CONECT   18    1                                                      
CONECT   19   20    8    7                                            
CONECT   20   10   10   19                                            
CONECT   21   11   10   41                                            
CONECT   22   23   11   11                                            
CONECT   23   12   12   22                                            
CONECT   24   12   11                                                 
CONECT   25   27   13   26                                            
CONECT   26   25   16   16   42                                       
CONECT   27   15   15   25                                            
CONECT   28   15   43   44   45                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
