COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.950  -0.829  -6.952  1.00  0.00           O  
HETATM    2  C   UNL     1       2.713  -0.889  -6.239  1.00  0.00           C  
HETATM    3  C   UNL     1       2.026   0.476  -6.296  1.00  0.00           C  
HETATM    4  N   UNL     1       0.705   0.385  -5.668  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.442  -0.013  -6.302  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.483   0.035  -5.351  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.771  -0.328  -5.737  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.006  -0.716  -6.973  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.051  -0.778  -7.887  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.750  -0.437  -7.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.870   0.500  -4.107  1.00  0.00           C  
HETATM   12  C   UNL     1       0.434   0.691  -4.361  1.00  0.00           C  
HETATM   13  C   UNL     1       1.450   1.172  -3.356  1.00  0.00           C  
HETATM   14  N   UNL     1       0.998   0.831  -2.005  1.00  0.00           N  
HETATM   15  C   UNL     1       0.342   1.766  -1.316  1.00  0.00           C  
HETATM   16  O   UNL     1       0.079   2.813  -1.869  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.097   1.578   0.109  1.00  0.00           C  
HETATM   18  N   UNL     1       0.048   0.160   0.469  1.00  0.00           N  
HETATM   19  C   UNL     1       1.271  -0.528   0.024  1.00  0.00           C  
HETATM   20  C   UNL     1       1.304  -0.501  -1.504  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.116  -0.630   1.341  1.00  0.00           S  
HETATM   22  O   UNL     1      -2.315   0.104   1.140  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.941  -2.011   1.056  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.718  -0.440   3.047  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.099   0.535   3.884  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.655   0.499   5.270  1.00  0.00           C  
HETATM   27  C   UNL     1       0.171  -0.598   5.595  1.00  0.00           C  
HETATM   28  S   UNL     1       0.293  -1.494   4.068  1.00  0.00           S  
HETATM   29  C   UNL     1       0.682  -0.781   6.861  1.00  0.00           C  
HETATM   30  C   UNL     1       0.384   0.133   7.854  1.00  0.00           C  
HETATM   31 CL   UNL     1       1.019  -0.077   9.456  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -0.426   1.222   7.560  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.936   1.411   6.314  1.00  0.00           C  
HETATM   34  H   UNL     1       4.350  -1.708  -6.891  1.00  0.00           H  
HETATM   35  H   UNL     1       2.067  -1.640  -6.694  1.00  0.00           H  
HETATM   36  H   UNL     1       2.905  -1.156  -5.200  1.00  0.00           H  
HETATM   37  H   UNL     1       2.631   1.210  -5.765  1.00  0.00           H  
HETATM   38  H   UNL     1       1.912   0.782  -7.336  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.578  -0.293  -5.021  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.298  -1.103  -8.887  1.00  0.00           H  
HETATM   41  H   UNL     1       0.017  -0.493  -8.350  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.371   0.660  -3.163  1.00  0.00           H  
HETATM   43  H   UNL     1       2.409   0.692  -3.551  1.00  0.00           H  
HETATM   44  H   UNL     1       1.561   2.253  -3.441  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.139   1.877   0.215  1.00  0.00           H  
HETATM   46  H   UNL     1       0.527   2.186   0.763  1.00  0.00           H  
HETATM   47  H   UNL     1       2.147  -0.014   0.420  1.00  0.00           H  
HETATM   48  H   UNL     1       1.260  -1.560   0.374  1.00  0.00           H  
HETATM   49  H   UNL     1       0.569  -1.207  -1.892  1.00  0.00           H  
HETATM   50  H   UNL     1       2.296  -0.794  -1.847  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.732   1.337   3.535  1.00  0.00           H  
HETATM   52  H   UNL     1       1.311  -1.632   7.076  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.656   1.934   8.338  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.564   2.268   6.119  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   12                                            
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   39                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   40                                       
CONECT   10    5    9    9   41                                       
CONECT   11    6   12   12   42                                       
CONECT   12    4   11   11   13                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   20                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   45   46                                       
CONECT   18   17   19   21                                            
CONECT   19   18   20   47   48                                       
CONECT   20   14   19   49   50                                       
CONECT   21   18   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   25   28                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   27   27   33                                       
CONECT   27   26   26   28   29                                       
CONECT   28   24   27                                                 
CONECT   29   27   30   30   52                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   33   53                                       
CONECT   33   26   32   32   54                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
