COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.004   1.363  -0.282  1.00  0.00           C  
HETATM    2  C   UNL     1       2.473   1.443   1.172  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.206  -2.223   1.908  1.00  0.00           O  
HETATM    4  C   UNL     1       4.137   0.817  -1.545  1.00  0.00           C  
HETATM    5  C   UNL     1       5.205   0.575  -0.510  1.00  0.00           C  
HETATM    6  C   UNL     1       6.847  -0.860   0.479  1.00  0.00           C  
HETATM    7  C   UNL     1       7.166   0.131   1.389  1.00  0.00           C  
HETATM    8  C   UNL     1       6.495   1.339   1.357  1.00  0.00           C  
HETATM    9  C   UNL     1       5.519   1.563   0.404  1.00  0.00           C  
HETATM   10  C   UNL     1       1.041  -1.245  -0.774  1.00  0.00           C  
HETATM   11  C   UNL     1       0.463  -0.662   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.812  -1.023   0.738  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.518  -1.960   0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.111   0.030   0.200  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.123   1.019  -0.775  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.053   2.350  -0.408  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.971   2.697   0.929  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.959   1.714   1.902  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.030   0.383   1.542  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.951  -2.542  -1.115  1.00  0.00           C  
HETATM   21  C   UNL     1       0.321  -2.185  -1.512  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.146  -2.416   0.501  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.423  -3.661  -0.125  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.188  -1.315  -0.167  1.00  0.00           N  
HETATM   25 CL   UNL     1      -4.067   3.587  -1.625  1.00  0.00          Cl  
HETATM   26  C   UNL     1       2.407  -0.862  -1.190  1.00  0.00           C  
HETATM   27  O   UNL     1       3.143  -1.689  -1.694  1.00  0.00           O  
HETATM   28  N   UNL     1       2.837   0.403  -1.011  1.00  0.00           N  
HETATM   29  C   UNL     1       1.508   2.323   1.970  1.00  0.00           C  
HETATM   30  C   UNL     1       5.867  -0.638  -0.470  1.00  0.00           C  
HETATM   31  H   UNL     1       0.965   1.038  -0.312  1.00  0.00           H  
HETATM   32  H   UNL     1       2.092   2.345  -0.747  1.00  0.00           H  
HETATM   33  H   UNL     1       2.493   0.442   1.603  1.00  0.00           H  
HETATM   34  H   UNL     1       3.473   1.875   1.208  1.00  0.00           H  
HETATM   35  H   UNL     1       4.106   1.878  -1.794  1.00  0.00           H  
HETATM   36  H   UNL     1       4.362   0.240  -2.441  1.00  0.00           H  
HETATM   37  H   UNL     1       7.365  -1.808   0.510  1.00  0.00           H  
HETATM   38  H   UNL     1       7.931  -0.043   2.130  1.00  0.00           H  
HETATM   39  H   UNL     1       6.743   2.113   2.068  1.00  0.00           H  
HETATM   40  H   UNL     1       5.002   2.511   0.374  1.00  0.00           H  
HETATM   41  H   UNL     1       1.014   0.070   0.928  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.260  -0.573   1.611  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.186   0.748  -1.818  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.915   3.737   1.214  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.894   1.988   2.945  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.020  -0.384   2.302  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.508  -3.274  -1.682  1.00  0.00           H  
HETATM   48  H   UNL     1       0.761  -2.637  -2.389  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.852  -1.605  -0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       0.508   1.891   1.934  1.00  0.00           H  
HETATM   51  H   UNL     1       1.841   2.380   3.006  1.00  0.00           H  
HETATM   52  H   UNL     1       1.487   3.324   1.539  1.00  0.00           H  
HETATM   53  H   UNL     1       5.619  -1.412  -1.181  1.00  0.00           H  
CONECT    1   28    2   31   32                                       
CONECT    2   29    1   33   34                                       
CONECT    3   22   22                                                 
CONECT    4    5   28   35   36                                       
CONECT    5    9    9   30    4                                       
CONECT    6    7   30   30   37                                       
CONECT    7    8    8    6   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8    5    5   40                                       
CONECT   10   11   26   21   21                                       
CONECT   11   12   12   10   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12   22   20   20                                       
CONECT   14   24   15   15   19                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   25   17   17                                       
CONECT   17   16   16   18   44                                       
CONECT   18   19   19   17   45                                       
CONECT   19   14   18   18   46                                       
CONECT   20   13   13   21   47                                       
CONECT   21   10   10   20   48                                       
CONECT   22   23   23    3    3                                       
CONECT   22   13   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   14   49                                            
CONECT   25   16                                                      
CONECT   26   28   10   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    4    1   26                                            
CONECT   29    2   50   51   52                                       
CONECT   30    6    6    5   53                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
