COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.138  -0.243   0.205  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.157   0.962   0.117  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.328   1.618   0.127  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.532   0.814   0.247  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.865   1.730   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.688   0.753   0.021  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.376   1.533  -0.096  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.249   0.597  -0.078  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.987   1.061  -0.169  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.784   2.256  -0.266  1.00  0.00           O  
HETATM   11  C   UNL     1       0.147   0.120  -0.152  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.082  -1.254  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       0.982  -2.129  -0.025  1.00  0.00           C  
HETATM   14  S   UNL     1       0.690  -3.861   0.115  1.00  0.00           S  
HETATM   15  O   UNL     1       1.559  -4.333   1.136  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.720  -4.028   0.157  1.00  0.00           O  
HETATM   17  N   UNL     1       1.202  -4.560  -1.296  1.00  0.00           N  
HETATM   18  C   UNL     1       1.464   0.599  -0.252  1.00  0.00           C  
HETATM   19  C   UNL     1       2.524  -0.299  -0.235  1.00  0.00           C  
HETATM   20  C   UNL     1       2.282  -1.653  -0.119  1.00  0.00           C  
HETATM   21 CL   UNL     1       3.612  -2.769  -0.097  1.00  0.00          Cl  
HETATM   22  S   UNL     1       1.769   2.328  -0.400  1.00  0.00           S  
HETATM   23  C   UNL     1       3.578   2.432  -0.310  1.00  0.00           C  
HETATM   24  C   UNL     1       4.027   3.846  -0.684  1.00  0.00           C  
HETATM   25  C   UNL     1       5.552   3.934  -0.608  1.00  0.00           C  
HETATM   26  C   UNL     1       6.011   3.613   0.816  1.00  0.00           C  
HETATM   27  C   UNL     1       5.563   2.198   1.189  1.00  0.00           C  
HETATM   28  C   UNL     1       4.037   2.110   1.113  1.00  0.00           C  
HETATM   29  H   UNL     1      -9.591   0.122  -0.593  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.502   0.252   1.180  1.00  0.00           H  
HETATM   31  H   UNL     1     -10.406   1.466   0.243  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.857   2.291  -0.933  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.777   2.421   0.841  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.695   0.193   0.956  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.776   0.062  -0.818  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.369   2.093  -1.031  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.288   2.223   0.743  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.411  -0.356  -0.001  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.092  -1.630   0.034  1.00  0.00           H  
HETATM   40  H   UNL     1       1.579  -4.010  -2.001  1.00  0.00           H  
HETATM   41  H   UNL     1       1.126  -5.519  -1.418  1.00  0.00           H  
HETATM   42  H   UNL     1       3.539   0.063  -0.312  1.00  0.00           H  
HETATM   43  H   UNL     1       4.018   1.716  -1.004  1.00  0.00           H  
HETATM   44  H   UNL     1       3.700   4.075  -1.698  1.00  0.00           H  
HETATM   45  H   UNL     1       3.586   4.562   0.010  1.00  0.00           H  
HETATM   46  H   UNL     1       5.992   3.218  -1.302  1.00  0.00           H  
HETATM   47  H   UNL     1       5.872   4.942  -0.874  1.00  0.00           H  
HETATM   48  H   UNL     1       7.098   3.675   0.870  1.00  0.00           H  
HETATM   49  H   UNL     1       5.571   4.328   1.510  1.00  0.00           H  
HETATM   50  H   UNL     1       6.003   1.482   0.495  1.00  0.00           H  
HETATM   51  H   UNL     1       5.890   1.969   2.204  1.00  0.00           H  
HETATM   52  H   UNL     1       3.597   2.826   1.808  1.00  0.00           H  
HETATM   53  H   UNL     1       3.717   1.103   1.379  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    5                                       
CONECT    3    4    2                                                 
CONECT    4    3   29   30   31                                       
CONECT    5    2    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   36   37                                       
CONECT    8    7    9   38                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   18                                       
CONECT   12   11   11   13   39                                       
CONECT   13   12   14   20   20                                       
CONECT   14   17   13   16   16                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   40   41                                            
CONECT   18   11   22   19   19                                       
CONECT   19   18   18   20   42                                       
CONECT   20   13   13   19   21                                       
CONECT   21   20                                                      
CONECT   22   18   23                                                 
CONECT   23   22   24   28   43                                       
CONECT   24   25   23   44   45                                       
CONECT   25   24   26   46   47                                       
CONECT   26   25   27   48   49                                       
CONECT   27   28   26   50   51                                       
CONECT   28   23   27   52   53                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
