COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -3.660   1.787   0.919  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.573   0.196   0.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.725  -0.541   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.059   0.035   0.441  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.656  -1.811  -0.506  1.00  0.00           C  
HETATM    6  F   UNL     1      -5.786  -2.529  -0.686  1.00  0.00           F  
HETATM    7  C   UNL     1      -3.431  -2.348  -0.873  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.274  -1.622  -0.693  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.337  -0.338  -0.144  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.101   0.445   0.052  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.158   1.562   0.529  1.00  0.00           O  
HETATM   12  N   UNL     1       0.091  -0.078  -0.299  1.00  0.00           N  
HETATM   13  C   UNL     1       1.250   0.706  -0.222  1.00  0.00           C  
HETATM   14  C   UNL     1       1.160   2.088  -0.297  1.00  0.00           C  
HETATM   15  C   UNL     1       2.305   2.859  -0.221  1.00  0.00           C  
HETATM   16  N   UNL     1       2.207   4.334  -0.301  1.00  0.00           N1+
HETATM   17  O   UNL     1       1.120   4.866  -0.434  1.00  0.00           O  
HETATM   18  O   UNL     1       3.214   5.016  -0.234  1.00  0.00           O1-
HETATM   19  C   UNL     1       3.541   2.258  -0.070  1.00  0.00           C  
HETATM   20  C   UNL     1       3.639   0.881   0.006  1.00  0.00           C  
HETATM   21  C   UNL     1       2.495   0.099  -0.065  1.00  0.00           C  
HETATM   22  N   UNL     1       2.592  -1.294   0.017  1.00  0.00           N  
HETATM   23  C   UNL     1       3.428  -1.829  -1.067  1.00  0.00           C  
HETATM   24  C   UNL     1       3.444  -3.357  -0.989  1.00  0.00           C  
HETATM   25  N   UNL     1       3.958  -3.773   0.323  1.00  0.00           N  
HETATM   26  C   UNL     1       4.059  -5.236   0.409  1.00  0.00           C  
HETATM   27  C   UNL     1       3.121  -3.239   1.407  1.00  0.00           C  
HETATM   28  C   UNL     1       3.106  -1.710   1.329  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.487   0.576  -0.404  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.731  -0.771   0.734  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.925   0.719   1.279  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.383  -3.339  -1.302  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.321  -2.042  -0.979  1.00  0.00           H  
HETATM   34  H   UNL     1       0.147  -0.997  -0.605  1.00  0.00           H  
HETATM   35  H   UNL     1       0.197   2.562  -0.415  1.00  0.00           H  
HETATM   36  H   UNL     1       4.432   2.865  -0.010  1.00  0.00           H  
HETATM   37  H   UNL     1       4.606   0.414   0.123  1.00  0.00           H  
HETATM   38  H   UNL     1       3.021  -1.517  -2.028  1.00  0.00           H  
HETATM   39  H   UNL     1       4.445  -1.449  -0.962  1.00  0.00           H  
HETATM   40  H   UNL     1       2.431  -3.738  -1.121  1.00  0.00           H  
HETATM   41  H   UNL     1       4.087  -3.754  -1.774  1.00  0.00           H  
HETATM   42  H   UNL     1       4.737  -5.599  -0.363  1.00  0.00           H  
HETATM   43  H   UNL     1       4.442  -5.517   1.390  1.00  0.00           H  
HETATM   44  H   UNL     1       3.073  -5.678   0.263  1.00  0.00           H  
HETATM   45  H   UNL     1       2.105  -3.618   1.302  1.00  0.00           H  
HETATM   46  H   UNL     1       3.529  -3.550   2.368  1.00  0.00           H  
HETATM   47  H   UNL     1       4.118  -1.329   1.461  1.00  0.00           H  
HETATM   48  H   UNL     1       2.462  -1.313   2.114  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    9    9    3    1                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3   29   30   31                                       
CONECT    5    7    6    3    3                                       
CONECT    6    5                                                      
CONECT    7    8    8    5   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10    2    2                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   34                                            
CONECT   13   14   12   21   21                                       
CONECT   14   15   15   13   35                                       
CONECT   15   16   14   14   19                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   16                                                      
CONECT   19   15   20   20   36                                       
CONECT   20   19   19   21   37                                       
CONECT   21   13   13   20   22                                       
CONECT   22   21   23   28                                            
CONECT   23   22   24   38   39                                       
CONECT   24   23   25   40   41                                       
CONECT   25   24   27   26                                            
CONECT   26   25   42   43   44                                       
CONECT   27   28   25   45   46                                       
CONECT   28   22   27   47   48                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
