COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.664   1.542  -0.582  1.00  0.00           C  
HETATM    2  C   UNL     1       3.005   0.296  -0.049  1.00  0.00           C  
HETATM    3  C   UNL     1       4.862   2.073   0.070  1.00  0.00           C  
HETATM    4  O   UNL     1       3.201   2.106  -1.552  1.00  0.00           O  
HETATM    5  N   UNL     1       1.662   0.171  -0.620  1.00  0.00           N  
HETATM    6  C   UNL     1       3.839  -0.927  -0.434  1.00  0.00           C  
HETATM    7  C   UNL     1       3.239  -2.178   0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       4.074  -3.401  -0.173  1.00  0.00           C  
HETATM    9  N   UNL     1       3.500  -4.598   0.445  1.00  0.00           N  
HETATM   10  C   UNL     1       4.084  -5.826   0.239  1.00  0.00           C  
HETATM   11  N   UNL     1       3.545  -6.949   0.820  1.00  0.00           N  
HETATM   12  N   UNL     1       5.149  -5.924  -0.506  1.00  0.00           N  
HETATM   13  N   UNL     1       5.516   1.615   1.134  1.00  0.00           N  
HETATM   14  C   UNL     1       6.579   2.236   1.562  1.00  0.00           C  
HETATM   15  C   UNL     1       7.011   3.363   0.922  1.00  0.00           C  
HETATM   16  S   UNL     1       5.833   3.513  -0.346  1.00  0.00           S  
HETATM   17  N   UNL     1      -1.758   1.064   0.351  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.753   0.707  -0.654  1.00  0.00           C  
HETATM   19  C   UNL     1       0.623   0.810  -0.047  1.00  0.00           C  
HETATM   20  O   UNL     1       0.795   1.468   0.957  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.859   1.664  -1.843  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.217   1.482  -2.524  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.724   3.106  -1.351  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.014   0.588   0.246  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.038   0.951   1.270  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.313  -0.136  -0.681  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.716   1.591   2.250  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.440   0.534   1.091  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.426   0.982   1.977  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.735   0.588   1.803  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.077  -0.249   0.754  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.107  -0.697  -0.128  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.793  -0.307   0.030  1.00  0.00           C  
HETATM   34 CL   UNL     1      -7.548  -1.746  -1.440  1.00  0.00          Cl  
HETATM   35  H   UNL     1       2.933   0.360   1.037  1.00  0.00           H  
HETATM   36  H   UNL     1       1.520  -0.372  -1.412  1.00  0.00           H  
HETATM   37  H   UNL     1       3.837  -1.041  -1.518  1.00  0.00           H  
HETATM   38  H   UNL     1       4.863  -0.793  -0.084  1.00  0.00           H  
HETATM   39  H   UNL     1       3.241  -2.063   1.296  1.00  0.00           H  
HETATM   40  H   UNL     1       2.216  -2.311  -0.138  1.00  0.00           H  
HETATM   41  H   UNL     1       4.072  -3.515  -1.257  1.00  0.00           H  
HETATM   42  H   UNL     1       5.098  -3.267   0.176  1.00  0.00           H  
HETATM   43  H   UNL     1       2.707  -4.525   0.999  1.00  0.00           H  
HETATM   44  H   UNL     1       2.752  -6.876   1.374  1.00  0.00           H  
HETATM   45  H   UNL     1       3.957  -7.815   0.674  1.00  0.00           H  
HETATM   46  H   UNL     1       5.561  -6.790  -0.651  1.00  0.00           H  
HETATM   47  H   UNL     1       7.114   1.863   2.423  1.00  0.00           H  
HETATM   48  H   UNL     1       7.860   3.993   1.146  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.518   1.642   1.092  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.925  -0.315  -0.993  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.063   1.447  -2.556  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.292   2.164  -3.371  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.313   0.455  -2.875  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.013   1.699  -1.811  1.00  0.00           H  
HETATM   55  H   UNL     1       0.223   3.223  -0.824  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.752   3.785  -2.203  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.547   3.338  -0.674  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.162   1.634   2.796  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.497   0.933   2.486  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.105  -0.555   0.624  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.038  -0.656  -0.659  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   35                                       
CONECT    3    1   13   13   16                                       
CONECT    4    1    1                                                 
CONECT    5    2   19   36                                            
CONECT    6    2    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   43                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   44   45                                            
CONECT   12   10   10   46                                            
CONECT   13    3    3   14                                            
CONECT   14   13   15   15   47                                       
CONECT   15   14   14   16   48                                       
CONECT   16    3   15                                                 
CONECT   17   18   24   49                                            
CONECT   18   17   19   21   50                                       
CONECT   19    5   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   23   51                                       
CONECT   22   21   52   53   54                                       
CONECT   23   21   55   56   57                                       
CONECT   24   17   25   26   26                                       
CONECT   25   24   27   27   28                                       
CONECT   26   24   24                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   29   33                                       
CONECT   29   28   28   30   58                                       
CONECT   30   29   31   31   59                                       
CONECT   31   30   30   32   60                                       
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32   61                                       
CONECT   34   32                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
