COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.297   0.467  -0.467  1.00  0.00           C  
HETATM    2  C   UNL     1       4.759   1.637   0.153  1.00  0.00           C  
HETATM    3  C   UNL     1       6.126   1.846   0.297  1.00  0.00           C  
HETATM    4  C   UNL     1       7.022   0.906  -0.169  1.00  0.00           C  
HETATM    5  C   UNL     1       6.569  -0.252  -0.783  1.00  0.00           C  
HETATM    6  C   UNL     1       5.217  -0.476  -0.934  1.00  0.00           C  
HETATM    7  C   UNL     1       0.887  -1.218  -0.412  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.219  -0.470  -0.940  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.457  -1.578  -0.210  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.218  -1.963   0.670  1.00  0.00           C  
HETATM   11  C   UNL     1       0.199  -1.516   0.923  1.00  0.00           C  
HETATM   12  C   UNL     1       0.962  -2.625   1.650  1.00  0.00           C  
HETATM   13  C   UNL     1       2.391  -2.160   1.937  1.00  0.00           C  
HETATM   14  C   UNL     1       3.105  -1.870   0.612  1.00  0.00           C  
HETATM   15  C   UNL     1       2.850   0.230  -0.621  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.080  -1.144   0.036  1.00  0.00           N  
HETATM   17  N   UNL     1       2.301  -0.911  -0.157  1.00  0.00           N  
HETATM   18  N   UNL     1       3.854   2.583   0.622  1.00  0.00           N  
HETATM   19  O   UNL     1       2.152   1.063  -1.165  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.583  -3.059   1.038  1.00  0.00           O  
HETATM   21  S   UNL     1      -5.924  -1.008  -1.245  1.00  0.00           S  
HETATM   22 CL   UNL     1       6.705   3.292   1.064  1.00  0.00          Cl  
HETATM   23 CL   UNL     1       7.709  -1.424  -1.365  1.00  0.00          Cl  
HETATM   24  H   UNL     1       8.083   1.073  -0.055  1.00  0.00           H  
HETATM   25  H   UNL     1       4.869  -1.380  -1.413  1.00  0.00           H  
HETATM   26  H   UNL     1       0.814  -2.090  -1.063  1.00  0.00           H  
HETATM   27  H   UNL     1       0.408  -0.364  -0.891  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.226   0.431  -0.327  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.730  -0.258  -1.891  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.947  -1.790   0.740  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.450  -2.479  -0.824  1.00  0.00           H  
HETATM   32  H   UNL     1       0.192  -0.616   1.538  1.00  0.00           H  
HETATM   33  H   UNL     1       0.460  -2.856   2.590  1.00  0.00           H  
HETATM   34  H   UNL     1       0.989  -3.518   1.024  1.00  0.00           H  
HETATM   35  H   UNL     1       2.365  -1.254   2.542  1.00  0.00           H  
HETATM   36  H   UNL     1       2.928  -2.942   2.475  1.00  0.00           H  
HETATM   37  H   UNL     1       4.088  -1.444   0.813  1.00  0.00           H  
HETATM   38  H   UNL     1       3.213  -2.794   0.045  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.788  -0.266  -0.258  1.00  0.00           H  
HETATM   40  H   UNL     1       2.901   2.402   0.587  1.00  0.00           H  
HETATM   41  H   UNL     1       4.175   3.423   0.984  1.00  0.00           H  
HETATM   42  S   UNL     1      -6.748  -1.014   0.632  1.00  0.00           S  
HETATM   43  C   UNL     1      -7.269   0.709   0.855  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.456   1.006  -0.064  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.878   2.401   0.116  1.00  0.00           N  
HETATM   46  C   UNL     1      -7.837   3.330  -0.345  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.153   2.658  -0.566  1.00  0.00           C  
HETATM   48  H   UNL     1      -7.564   0.868   1.892  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.442   1.374   0.607  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.161   0.847  -1.101  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.283   0.341   0.184  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.641   3.158  -1.403  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.176   4.356  -0.200  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.924   3.165   0.226  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.923   2.004  -0.156  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.442   3.698  -0.417  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.040   2.462  -1.633  1.00  0.00           H  
CONECT    1   15    2    2    6                                       
CONECT    2   18    1    1    3                                       
CONECT    3    2   22    4    4                                       
CONECT    4    3    3    5   24                                       
CONECT    5    6    6    4   23                                       
CONECT    6    1    5    5   25                                       
CONECT    7   11   17   26   27                                       
CONECT    8    9   21   28   29                                       
CONECT    9    8   16   30   31                                       
CONECT   10   16   20   20   11                                       
CONECT   11   10   12    7   32                                       
CONECT   12   13   11   33   34                                       
CONECT   13   12   14   35   36                                       
CONECT   14   13   17   37   38                                       
CONECT   15   17   19   19    1                                       
CONECT   16    9   10   39                                            
CONECT   17    7   14   15                                            
CONECT   18    2   40   41                                            
CONECT   19   15   15                                                 
CONECT   20   10   10                                                 
CONECT   21    8   42                                                 
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   21   43                                                 
CONECT   43   42   44   48   49                                       
CONECT   44   43   45   50   51                                       
CONECT   45   44   46   47                                            
CONECT   46   45   52   53   54                                       
CONECT   47   45   55   56   57                                       
CONECT   48   43                                                      
CONECT   49   43                                                      
CONECT   50   44                                                      
CONECT   51   44                                                      
CONECT   52   46                                                      
CONECT   53   46                                                      
CONECT   54   46                                                      
CONECT   55   47                                                      
CONECT   56   47                                                      
CONECT   57   47                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
