COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.628  -0.082   2.861  1.00  0.00           O  
HETATM    2  C   UNL     1       4.218   0.468   1.857  1.00  0.00           C  
HETATM    3  N   UNL     1       4.960   1.035   0.899  1.00  0.00           N  
HETATM    4  C   UNL     1       6.422   1.032   0.999  1.00  0.00           C  
HETATM    5  C   UNL     1       6.968  -0.206   0.336  1.00  0.00           C  
HETATM    6  C   UNL     1       7.291  -0.185  -1.008  1.00  0.00           C  
HETATM    7  C   UNL     1       7.792  -1.321  -1.616  1.00  0.00           C  
HETATM    8  C   UNL     1       7.970  -2.479  -0.879  1.00  0.00           C  
HETATM    9  F   UNL     1       8.460  -3.589  -1.473  1.00  0.00           F  
HETATM   10  C   UNL     1       7.647  -2.499   0.467  1.00  0.00           C  
HETATM   11  C   UNL     1       7.151  -1.361   1.075  1.00  0.00           C  
HETATM   12  C   UNL     1       4.365   1.598  -0.140  1.00  0.00           C  
HETATM   13  O   UNL     1       4.986   2.129  -1.042  1.00  0.00           O  
HETATM   14  S   UNL     1       2.523   0.666   1.379  1.00  0.00           S  
HETATM   15  C   UNL     1       2.899   1.534  -0.123  1.00  0.00           C  
HETATM   16  C   UNL     1       2.031   2.022  -1.045  1.00  0.00           C  
HETATM   17  C   UNL     1       0.599   1.717  -0.938  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.343   2.535  -1.576  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.685   2.244  -1.473  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.105   1.141  -0.738  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.430   0.859  -0.641  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.794  -0.288   0.129  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.293  -0.442   0.124  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.907  -1.194  -0.859  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.282  -1.335  -0.864  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.043  -0.724   0.116  1.00  0.00           C  
HETATM   27  B   UNL     1      -9.591  -0.882   0.111  1.00  0.00           B1-
HETATM   28  O   UNL     1      -9.939  -1.980   0.846  1.00  0.00           O  
HETATM   29  O   UNL     1     -10.165   0.232   0.656  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.428   0.027   1.100  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.053   0.164   1.107  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.175   0.326  -0.104  1.00  0.00           C  
HETATM   33  C   UNL     1       0.169   0.605  -0.204  1.00  0.00           C  
HETATM   34  O   UNL     1     -10.029  -1.038  -1.175  1.00  0.00           O  
HETATM   35  H   UNL     1       6.822   1.916   0.502  1.00  0.00           H  
HETATM   36  H   UNL     1       6.714   1.042   2.049  1.00  0.00           H  
HETATM   37  H   UNL     1       7.152   0.718  -1.582  1.00  0.00           H  
HETATM   38  H   UNL     1       6.903  -1.374   2.126  1.00  0.00           H  
HETATM   39  H   UNL     1       8.043  -1.304  -2.666  1.00  0.00           H  
HETATM   40  H   UNL     1       7.785  -3.402   1.043  1.00  0.00           H  
HETATM   41  H   UNL     1       2.394   2.635  -1.857  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.017   3.392  -2.146  1.00  0.00           H  
HETATM   43  H   UNL     1       0.892  -0.032   0.286  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.412   2.874  -1.964  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.508  -0.529   0.466  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.336  -1.177  -0.305  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.444  -0.164   1.154  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.313  -1.671  -1.625  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.572   0.748   1.878  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.763  -1.922  -1.633  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.022   0.504   1.866  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.567  -2.809   0.516  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.960   1.051   0.184  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.987  -1.142  -1.254  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   14                                       
CONECT    3    2    4   12                                            
CONECT    4    3    5   35   36                                       
CONECT    5    4    6   11   11                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   11   40                                       
CONECT   11    5    5   10   38                                       
CONECT   12    3   13   13   15                                       
CONECT   13   12   12                                                 
CONECT   14    2   15                                                 
CONECT   15   12   14   16   16                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   33   33                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   32   32                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   46   47                                       
CONECT   23   22   24   31   31                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   30   30                                       
CONECT   27   26   28   29   34                                       
CONECT   28   27   52                                                 
CONECT   29   27   53                                                 
CONECT   30   26   26   31   51                                       
CONECT   31   23   23   30   49                                       
CONECT   32   20   20   33   45                                       
CONECT   33   17   17   32   43                                       
CONECT   34   27   54                                                 
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   33                                                      
CONECT   44   19                                                      
CONECT   45   32                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   31                                                      
CONECT   50   25                                                      
CONECT   51   30                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
