COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.705  -0.040   0.481  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.482   3.692  -0.278  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.187   0.501   1.016  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.295   1.472   0.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.772   2.731   0.296  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.718   3.518  -0.684  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.347   2.274  -0.519  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.229   0.820  -0.756  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.621   1.219   0.090  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.543  -2.605   0.697  1.00  0.00           C  
HETATM   11  C   UNL     1       0.366  -3.983  -1.034  1.00  0.00           C  
HETATM   12  C   UNL     1       2.876  -1.283  -0.280  1.00  0.00           C  
HETATM   13 CL   UNL     1      -2.078  -4.686  -0.102  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -0.657  -3.691  -0.149  1.00  0.00           C  
HETATM   15  C   UNL     1       1.495  -3.190  -1.060  1.00  0.00           C  
HETATM   16  C   UNL     1       1.611  -2.101  -0.207  1.00  0.00           C  
HETATM   17  S   UNL     1       3.207   1.417  -0.126  1.00  0.00           S  
HETATM   18  O   UNL     1       2.927   1.390  -1.519  1.00  0.00           O  
HETATM   19  O   UNL     1       2.698   2.413   0.750  1.00  0.00           O  
HETATM   20  N   UNL     1       4.856   1.466   0.018  1.00  0.00           N  
HETATM   21  C   UNL     1       5.688   0.556  -0.773  1.00  0.00           C  
HETATM   22  C   UNL     1       7.120   1.092  -0.828  1.00  0.00           C  
HETATM   23  C   UNL     1       0.590  -1.802   0.668  1.00  0.00           C  
HETATM   24  C   UNL     1       0.633  -0.621   1.600  1.00  0.00           C  
HETATM   25  C   UNL     1       2.063  -0.139   1.802  1.00  0.00           C  
HETATM   26  O   UNL     1       0.362   1.429   0.463  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.532   0.472   1.110  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.231  -0.031   0.263  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.514  -0.216  -0.157  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.668   2.047  -0.939  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.759   2.939   0.607  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.253   4.335  -1.145  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.244   0.646  -1.080  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.342  -2.379   1.388  1.00  0.00           H  
HETATM   35  H   UNL     1       0.281  -4.828  -1.700  1.00  0.00           H  
HETATM   36  H   UNL     1       3.094  -1.044  -1.321  1.00  0.00           H  
HETATM   37  H   UNL     1       3.703  -1.855   0.141  1.00  0.00           H  
HETATM   38  H   UNL     1       2.294  -3.418  -1.750  1.00  0.00           H  
HETATM   39  H   UNL     1       5.271   2.097   0.627  1.00  0.00           H  
HETATM   40  H   UNL     1       5.687  -0.432  -0.312  1.00  0.00           H  
HETATM   41  H   UNL     1       5.288   0.485  -1.784  1.00  0.00           H  
HETATM   42  H   UNL     1       7.719   0.462  -1.486  1.00  0.00           H  
HETATM   43  H   UNL     1       7.112   2.112  -1.210  1.00  0.00           H  
HETATM   44  H   UNL     1       7.550   1.082   0.174  1.00  0.00           H  
HETATM   45  H   UNL     1       0.212  -0.909   2.563  1.00  0.00           H  
HETATM   46  H   UNL     1       2.609  -0.852   2.420  1.00  0.00           H  
HETATM   47  H   UNL     1       2.059   0.839   2.283  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.969  -0.243   1.598  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.688  -0.842   0.726  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.984  -1.179  -0.023  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.234   2.840  -1.405  1.00  0.00           H  
CONECT    1   25   17   12                                            
CONECT    2    6    5    5                                            
CONECT    3   27   24   26   26                                       
CONECT    4    9    9    5   27                                       
CONECT    5    2    2    4   31                                       
CONECT    6    7    7    2   32                                       
CONECT    7   30    6    6    9                                       
CONECT    8   30   30   29   33                                       
CONECT    9    7   28    4    4                                       
CONECT   10   23   23   14   34                                       
CONECT   11   14   14   15   35                                       
CONECT   12    1   16   36   37                                       
CONECT   13   14                                                      
CONECT   14   10   13   11   11                                       
CONECT   15   16   16   11   38                                       
CONECT   16   23   12   15   15                                       
CONECT   17   18   18    1   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   39                                            
CONECT   21   22   20   40   41                                       
CONECT   22   21   42   43   44                                       
CONECT   23   24   10   10   16                                       
CONECT   24    3   25   23   45                                       
CONECT   25   24    1   46   47                                       
CONECT   26    3    3                                                 
CONECT   27    4    3   48                                            
CONECT   28   29   29    9   49                                       
CONECT   29    8   28   28   50                                       
CONECT   30    8    8    7   51                                       
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
