COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.251   2.860  -1.180  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.390   1.417  -1.669  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.651   0.537  -0.527  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.891   0.196  -0.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.196   0.519  -0.368  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.244  -0.005   0.360  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.001  -0.852   1.432  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.723  -1.181   1.785  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.645  -0.661   1.062  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.298  -0.797   1.162  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.718  -0.100   0.230  1.00  0.00           C  
HETATM   12  C   UNL     1       0.772  -0.009   0.020  1.00  0.00           C  
HETATM   13  C   UNL     1       1.384   0.890   1.097  1.00  0.00           C  
HETATM   14  N   UNL     1       1.360  -1.347   0.110  1.00  0.00           N  
HETATM   15  S   UNL     1       2.650  -1.750  -0.848  1.00  0.00           S  
HETATM   16  O   UNL     1       3.004  -3.083  -0.504  1.00  0.00           O  
HETATM   17  O   UNL     1       2.310  -1.352  -2.168  1.00  0.00           O  
HETATM   18  C   UNL     1       4.003  -0.734  -0.355  1.00  0.00           C  
HETATM   19  C   UNL     1       4.866  -1.165   0.636  1.00  0.00           C  
HETATM   20  C   UNL     1       5.927  -0.368   1.023  1.00  0.00           C  
HETATM   21  C   UNL     1       6.126   0.860   0.418  1.00  0.00           C  
HETATM   22  C   UNL     1       5.262   1.291  -0.573  1.00  0.00           C  
HETATM   23  C   UNL     1       4.204   0.491  -0.963  1.00  0.00           C  
HETATM   24 CL   UNL     1       7.458   1.862   0.904  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -6.662   0.344  -0.012  1.00  0.00           C  
HETATM   26  F   UNL     1      -7.144  -0.586  -0.938  1.00  0.00           F  
HETATM   27  F   UNL     1      -7.464   0.320   1.134  1.00  0.00           F  
HETATM   28  F   UNL     1      -6.694   1.624  -0.576  1.00  0.00           F  
HETATM   29  H   UNL     1      -0.424   2.926  -0.474  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.057   3.514  -2.030  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.174   3.168  -0.688  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.218   1.351  -2.376  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.468   1.110  -2.161  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.391   1.178  -1.201  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.831  -1.256   1.993  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.545  -1.840   2.621  1.00  0.00           H  
HETATM   37  H   UNL     1       0.975   0.413  -0.964  1.00  0.00           H  
HETATM   38  H   UNL     1       2.462   0.956   0.945  1.00  0.00           H  
HETATM   39  H   UNL     1       0.946   1.886   1.030  1.00  0.00           H  
HETATM   40  H   UNL     1       1.181   0.469   2.081  1.00  0.00           H  
HETATM   41  H   UNL     1       0.994  -1.998   0.729  1.00  0.00           H  
HETATM   42  H   UNL     1       4.710  -2.124   1.107  1.00  0.00           H  
HETATM   43  H   UNL     1       3.532   0.825  -1.740  1.00  0.00           H  
HETATM   44  H   UNL     1       6.601  -0.705   1.796  1.00  0.00           H  
HETATM   45  H   UNL     1       5.416   2.250  -1.045  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2    4   11                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5    7   25                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   11                                            
CONECT   11    3   10   10   12                                       
CONECT   12   11   13   14   37                                       
CONECT   13   12   38   39   40                                       
CONECT   14   12   15   41                                            
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   23   23                                       
CONECT   19   18   20   20   42                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   24                                       
CONECT   22   21   21   23   45                                       
CONECT   23   18   18   22   43                                       
CONECT   24   21                                                      
CONECT   25    6   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
