COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.510   0.004   1.632  1.00  0.00           C  
HETATM    2  C   UNL     1       4.480   1.095   1.173  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.255  -0.177   0.962  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.225  -1.268   1.421  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.661   0.265  -1.054  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.467  -1.369  -1.304  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.520  -2.269  -0.710  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.633  -2.498  -1.735  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.908   1.397   1.199  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.311   0.162   1.363  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.656  -0.439   0.298  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.891  -3.611  -0.332  1.00  0.00           C  
HETATM   13  C   UNL     1       1.134  -0.504   1.447  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.204   1.435  -1.093  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.857   2.032  -0.029  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.641  -0.915   0.956  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.256  -0.101  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.601   0.203  -0.931  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.621  -0.698  -0.497  1.00  0.00           N  
HETATM   20  N   UNL     1       2.160   0.322   1.160  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.068  -1.654   0.458  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.381  -1.250  -2.507  1.00  0.00           O  
HETATM   23  O   UNL     1       1.329  -1.510   2.096  1.00  0.00           O  
HETATM   24  S   UNL     1       6.152   0.701   1.757  1.00  0.00           S  
HETATM   25 CL   UNL     1      -7.614   3.581  -0.236  1.00  0.00          Cl  
HETATM   26  H   UNL     1       3.822  -0.956   1.220  1.00  0.00           H  
HETATM   27  H   UNL     1       3.511  -0.049   2.720  1.00  0.00           H  
HETATM   28  H   UNL     1       4.479   1.148   0.084  1.00  0.00           H  
HETATM   29  H   UNL     1       4.168   2.055   1.584  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.567   0.783   1.373  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.928  -2.224   0.989  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.206  -1.338   2.509  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.915   1.270  -0.717  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.693   0.224  -2.143  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.227  -3.023  -2.600  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.424  -3.097  -1.285  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.039  -1.537  -2.051  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.418   1.864   2.028  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.355  -0.336   2.321  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.039  -3.440   0.326  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.629  -4.227   0.182  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.556  -4.122  -1.235  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.165   1.933  -2.051  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.319  -1.735   1.193  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.976  -0.008   1.459  1.00  0.00           H  
HETATM   46  H   UNL     1       0.452   0.660  -0.894  1.00  0.00           H  
HETATM   47  H   UNL     1       0.032  -1.068  -0.979  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.091  -0.263  -1.761  1.00  0.00           H  
HETATM   49  H   UNL     1       2.004   1.126   0.641  1.00  0.00           H  
HETATM   50  S   UNL     1       6.667  -0.924   0.619  1.00  0.00           S  
HETATM   51  C   UNL     1       7.312  -0.171  -0.900  1.00  0.00           C  
HETATM   52  C   UNL     1       8.651   0.508  -0.605  1.00  0.00           C  
HETATM   53  N   UNL     1       9.173   1.118  -1.835  1.00  0.00           N  
HETATM   54  C   UNL     1      10.329   1.977  -1.547  1.00  0.00           C  
HETATM   55  C   UNL     1       9.514   0.091  -2.828  1.00  0.00           C  
HETATM   56  H   UNL     1       7.455  -0.943  -1.656  1.00  0.00           H  
HETATM   57  H   UNL     1       6.602   0.570  -1.268  1.00  0.00           H  
HETATM   58  H   UNL     1       8.507   1.281   0.151  1.00  0.00           H  
HETATM   59  H   UNL     1       9.361  -0.233  -0.237  1.00  0.00           H  
HETATM   60  H   UNL     1      11.119   1.381  -1.090  1.00  0.00           H  
HETATM   61  H   UNL     1      10.696   2.416  -2.475  1.00  0.00           H  
HETATM   62  H   UNL     1      10.031   2.771  -0.862  1.00  0.00           H  
HETATM   63  H   UNL     1       8.623  -0.486  -3.075  1.00  0.00           H  
HETATM   64  H   UNL     1       9.898   0.570  -3.729  1.00  0.00           H  
HETATM   65  H   UNL     1      10.274  -0.573  -2.418  1.00  0.00           H  
CONECT    1   20    2   26   27                                       
CONECT    2   24    1   28   29                                       
CONECT    3   17   13    4   30                                       
CONECT    4    3   16   31   32                                       
CONECT    5   17   19   33   34                                       
CONECT    6   19   22   22    7                                       
CONECT    7    6    8   21   12                                       
CONECT    8    7   35   36   37                                       
CONECT    9   10   10   15   38                                       
CONECT   10   11    9    9   39                                       
CONECT   11   21   18   18   10                                       
CONECT   12    7   40   41   42                                       
CONECT   13   20    3   23   23                                       
CONECT   14   18   15   15   43                                       
CONECT   15   14   14    9   25                                       
CONECT   16   19    4   44   45                                       
CONECT   17    5    3   46   47                                       
CONECT   18   11   11   14   48                                       
CONECT   19    5   16    6                                            
CONECT   20    1   13   49                                            
CONECT   21    7   11                                                 
CONECT   22    6    6                                                 
CONECT   23   13   13                                                 
CONECT   24    2   50                                                 
CONECT   25   15                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   24   51                                                 
CONECT   51   50   52   56   57                                       
CONECT   52   51   53   58   59                                       
CONECT   53   52   54   55                                            
CONECT   54   53   60   61   62                                       
CONECT   55   53   63   64   65                                       
CONECT   56   51                                                      
CONECT   57   51                                                      
CONECT   58   52                                                      
CONECT   59   52                                                      
CONECT   60   54                                                      
CONECT   61   54                                                      
CONECT   62   54                                                      
CONECT   63   55                                                      
CONECT   64   55                                                      
CONECT   65   55                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
