COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.235  -1.574   1.041  1.00  0.00           C  
HETATM    2  N   UNL     1       3.229  -0.147   0.398  1.00  0.00           N  
HETATM    3  C   UNL     1       3.507   1.192   0.274  1.00  0.00           C  
HETATM    4  C   UNL     1       2.338   3.301   0.576  1.00  0.00           C  
HETATM    5  C   UNL     1       4.624   3.291  -0.130  1.00  0.00           C  
HETATM    6  C   UNL     1       5.898   1.176  -0.464  1.00  0.00           C  
HETATM    7  C   UNL     1       6.900   0.816   0.390  1.00  0.00           C  
HETATM    8  C   UNL     1       6.943   1.078   1.873  1.00  0.00           C  
HETATM    9  C   UNL     1       5.449   0.921  -3.009  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.063   1.223   1.366  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.050  -4.150  -2.317  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.522  -3.846  -1.264  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.110  -4.162  -1.035  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.273  -4.786  -1.916  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.023  -4.881  -1.287  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.149  -4.318  -0.064  1.00  0.00           C  
HETATM   17  S   UNL     1       1.133  -4.176   1.137  1.00  0.00           S  
HETATM   18  O   UNL     1       2.077  -5.195   0.838  1.00  0.00           O  
HETATM   19  N   UNL     1       1.900  -2.734   0.867  1.00  0.00           N  
HETATM   20  C   UNL     1       1.916  -0.294   0.802  1.00  0.00           C  
HETATM   21  C   UNL     1       2.339   1.899   0.615  1.00  0.00           C  
HETATM   22  C   UNL     1       3.465   3.976   0.208  1.00  0.00           C  
HETATM   23 CL   UNL     1       6.044   4.175  -0.593  1.00  0.00          Cl  
HETATM   24  C   UNL     1       4.656   1.903  -0.101  1.00  0.00           C  
HETATM   25  N   UNL     1       7.845   0.181  -0.335  1.00  0.00           N  
HETATM   26  N   UNL     1       7.422   0.146  -1.669  1.00  0.00           N  
HETATM   27  C   UNL     1       6.260   0.738  -1.753  1.00  0.00           C  
HETATM   28  C   UNL     1       1.354   0.936   0.943  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.963   1.280   0.130  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.402   1.571   0.560  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.243   1.625  -0.594  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.562   1.876  -0.386  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.435   1.942  -1.462  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.776   2.198  -1.248  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.725   2.269  -2.416  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.038   2.062   0.904  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.380   2.317   1.114  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.898   2.519   2.515  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.248   2.388   0.039  1.00  0.00           C  
HETATM   40 CL   UNL     1      -8.933   2.709   0.305  1.00  0.00          Cl  
HETATM   41  O   UNL     1       0.070  -1.588   1.391  1.00  0.00           O  
HETATM   42  O   UNL     1       0.489  -4.059   2.398  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.406  -3.882   0.082  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.237  -3.219  -0.308  1.00  0.00           O  
HETATM   45  H   UNL     1       3.851  -0.871   0.226  1.00  0.00           H  
HETATM   46  H   UNL     1       1.443   3.847   0.835  1.00  0.00           H  
HETATM   47  H   UNL     1       6.484   0.244   2.403  1.00  0.00           H  
HETATM   48  H   UNL     1       7.980   1.186   2.193  1.00  0.00           H  
HETATM   49  H   UNL     1       6.397   1.995   2.096  1.00  0.00           H  
HETATM   50  H   UNL     1       5.723   1.862  -3.485  1.00  0.00           H  
HETATM   51  H   UNL     1       5.648   0.096  -3.694  1.00  0.00           H  
HETATM   52  H   UNL     1       4.388   0.936  -2.758  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.410   0.433   2.032  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.100   2.180   1.887  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.525  -5.138  -2.906  1.00  0.00           H  
HETATM   56  H   UNL     1       0.872  -5.321  -1.701  1.00  0.00           H  
HETATM   57  H   UNL     1       2.827  -2.723   0.585  1.00  0.00           H  
HETATM   58  H   UNL     1       3.456   5.056   0.180  1.00  0.00           H  
HETATM   59  H   UNL     1       8.674  -0.186   0.009  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.616   2.070  -0.536  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.926   0.323  -0.391  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.749   0.781   1.226  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.439   2.528   1.081  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.067   1.793  -2.466  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.132   1.278  -2.614  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.538   2.956  -2.183  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.190   2.625  -3.297  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.361   2.006   1.743  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.843   3.577   2.774  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.934   2.185   2.571  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.291   1.942   3.213  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.165  -3.032  -0.505  1.00  0.00           H  
CONECT    1   41   41   20   19                                       
CONECT    2   20    3   45                                            
CONECT    3   21   21    2   24                                       
CONECT    4   22   22   21   46                                       
CONECT    5   22   24   24   23                                       
CONECT    6   24    7    7   27                                       
CONECT    7    8    6    6   25                                       
CONECT    8    7   47   48   49                                       
CONECT    9   27   50   51   52                                       
CONECT   10   29   28   53   54                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   44   13                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13   15   55                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   43   17                                       
CONECT   17   16   19   42   42                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19    1   17   57                                            
CONECT   20   28   28    1    2                                       
CONECT   21    4   28    3    3                                       
CONECT   22    4    4    5   58                                       
CONECT   23    5                                                      
CONECT   24    5    5    3    6                                       
CONECT   25    7   26   59                                            
CONECT   26   25   27   27                                            
CONECT   27    6   26   26    9                                       
CONECT   28   10   21   20   20                                       
CONECT   29   10   30   60   61                                       
CONECT   30   31   29   62   63                                       
CONECT   31   32   30                                                 
CONECT   32   36   31   33   33                                       
CONECT   33   32   32   34   64                                       
CONECT   34   39   39   33   35                                       
CONECT   35   34   65   66   67                                       
CONECT   36   37   37   32   68                                       
CONECT   37   38   36   36   39                                       
CONECT   38   37   69   70   71                                       
CONECT   39   37   40   34   34                                       
CONECT   40   39                                                      
CONECT   41    1    1                                                 
CONECT   42   17   17                                                 
CONECT   43   13   16                                                 
CONECT   44   12   72                                                 
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
