COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.188   0.829  -0.885  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.389   0.159  -1.037  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.523   0.646  -0.397  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.790  -0.562   0.506  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.507  -0.497   1.686  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.382  -1.513   2.020  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.541  -2.594   1.174  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.825  -2.659  -0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.953  -1.640  -0.343  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.542   1.551  -0.768  1.00  0.00           C  
HETATM   11  C   UNL     1       1.210   2.027   0.117  1.00  0.00           C  
HETATM   12  C   UNL     1       2.500   2.802   0.194  1.00  0.00           C  
HETATM   13  C   UNL     1       3.662   1.842   0.202  1.00  0.00           C  
HETATM   14  C   UNL     1       4.147   1.353   1.401  1.00  0.00           C  
HETATM   15  C   UNL     1       5.209   0.468   1.408  1.00  0.00           C  
HETATM   16  C   UNL     1       5.787   0.072   0.216  1.00  0.00           C  
HETATM   17  C   UNL     1       5.302   0.561  -0.983  1.00  0.00           C  
HETATM   18  C   UNL     1       4.240   1.446  -0.989  1.00  0.00           C  
HETATM   19  C   UNL     1       6.368  -2.693   0.132  1.00  0.00           C  
HETATM   20  C   UNL     1       7.455  -3.770   0.133  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.462   1.735   0.350  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.334   2.400   0.517  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.162   1.971  -0.086  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.706  -0.004  -0.540  1.00  0.00           O  
HETATM   25 CL   UNL     1      -2.479  -1.272  -2.016  1.00  0.00          Cl  
HETATM   26  N   UNL     1       0.032   2.682   0.097  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.835   0.546   0.143  1.00  0.00           C  
HETATM   28  O   UNL     1       1.231   0.816   0.073  1.00  0.00           O  
HETATM   29  S   UNL     1       7.141  -1.054   0.226  1.00  0.00           S  
HETATM   30  O   UNL     1       7.845  -0.766  -0.975  1.00  0.00           O  
HETATM   31  O   UNL     1       7.749  -0.861   1.495  1.00  0.00           O  
HETATM   32  H   UNL     1      -0.291   0.474  -1.371  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.382   0.348   2.348  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.942  -1.462   2.943  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.225  -3.388   1.435  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.949  -3.504  -0.668  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.393  -1.691  -1.265  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.876   1.046  -1.675  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.403   1.970  -0.248  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.852   2.352  -1.031  1.00  0.00           H  
HETATM   41  H   UNL     1       2.581   3.462  -0.669  1.00  0.00           H  
HETATM   42  H   UNL     1       2.514   3.396   1.108  1.00  0.00           H  
HETATM   43  H   UNL     1       3.695   1.662   2.332  1.00  0.00           H  
HETATM   44  H   UNL     1       5.588   0.087   2.345  1.00  0.00           H  
HETATM   45  H   UNL     1       5.753   0.251  -1.914  1.00  0.00           H  
HETATM   46  H   UNL     1       3.859   1.824  -1.926  1.00  0.00           H  
HETATM   47  H   UNL     1       5.784  -2.767  -0.784  1.00  0.00           H  
HETATM   48  H   UNL     1       5.715  -2.835   0.993  1.00  0.00           H  
HETATM   49  H   UNL     1       8.108  -3.627  -0.728  1.00  0.00           H  
HETATM   50  H   UNL     1       8.040  -3.696   1.050  1.00  0.00           H  
HETATM   51  H   UNL     1       6.990  -4.754   0.077  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.323   3.286   1.135  1.00  0.00           H  
HETATM   53  H   UNL     1       0.010   3.645   0.209  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.501   1.050   1.050  1.00  0.00           H  
CONECT    1   23    2    2   32                                       
CONECT    2    1    1    3   25                                       
CONECT    3   21   21    2   24                                       
CONECT    4    9    9    5   27                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8    4    4   37                                       
CONECT   10   27   38   39   40                                       
CONECT   11   12   28   28   26                                       
CONECT   12   13   11   41   42                                       
CONECT   13   14   18   18   12                                       
CONECT   14   15   15   13   43                                       
CONECT   15   14   14   16   44                                       
CONECT   16   29   15   17   17                                       
CONECT   17   16   16   18   45                                       
CONECT   18   13   13   17   46                                       
CONECT   19   29   20   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21   22    3    3                                            
CONECT   22   23   23   21   52                                       
CONECT   23   26   22   22    1                                       
CONECT   24    3   27                                                 
CONECT   25    2                                                      
CONECT   26   11   23   53                                            
CONECT   27   24    4   10   54                                       
CONECT   28   11   11                                                 
CONECT   29   30   30   16   31                                       
CONECT   29   31   19                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
