COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.310  -0.991  -0.801  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.555  -0.530   0.480  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.549   0.087   1.202  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.293   0.246   0.647  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.038  -0.214  -0.636  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.694   0.139  -0.404  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.356   0.487  -0.129  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.253  -0.313   1.002  1.00  0.00           C  
HETATM    9  C   UNL     1       0.866  -0.228   1.806  1.00  0.00           C  
HETATM   10  C   UNL     1       1.883   0.654   1.488  1.00  0.00           C  
HETATM   11  C   UNL     1       1.783   1.452   0.363  1.00  0.00           C  
HETATM   12  C   UNL     1       4.742   0.651  -0.759  1.00  0.00           C  
HETATM   13  C   UNL     1       5.405   0.589   0.464  1.00  0.00           C  
HETATM   14  C   UNL     1       6.065  -0.555   0.830  1.00  0.00           C  
HETATM   15  C   UNL     1       6.072  -1.661  -0.025  1.00  0.00           C  
HETATM   16  C   UNL     1       6.780  -2.893   0.366  1.00  0.00           C  
HETATM   17  C   UNL     1       5.405  -1.596  -1.253  1.00  0.00           C  
HETATM   18  C   UNL     1       4.747  -0.448  -1.614  1.00  0.00           C  
HETATM   19  C   UNL     1       0.669   1.367  -0.449  1.00  0.00           C  
HETATM   20 CL   UNL     1      -9.130  -0.726   1.184  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -6.051  -0.840  -1.362  1.00  0.00           C  
HETATM   22  N   UNL     1       4.070   1.811  -1.126  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.799  -1.306  -2.658  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.815   0.074   0.804  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.764  -0.053  -1.200  1.00  0.00           N  
HETATM   26  S   UNL     1       3.081   2.574  -0.038  1.00  0.00           S  
HETATM   27  O   UNL     1       2.476   3.655  -0.734  1.00  0.00           O  
HETATM   28  O   UNL     1       3.845   2.744   1.148  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.489   0.402  -0.947  1.00  0.00           N  
HETATM   30  O   UNL     1       7.359  -2.949   1.433  1.00  0.00           O  
HETATM   31  O   UNL     1       6.786  -3.958  -0.460  1.00  0.00           O  
HETATM   32  H   UNL     1      -8.097  -1.472  -1.362  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.746   0.445   2.201  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.511   0.731   1.212  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.047  -1.002   1.251  1.00  0.00           H  
HETATM   36  H   UNL     1       0.947  -0.850   2.685  1.00  0.00           H  
HETATM   37  H   UNL     1       2.755   0.722   2.121  1.00  0.00           H  
HETATM   38  H   UNL     1       5.399   1.444   1.124  1.00  0.00           H  
HETATM   39  H   UNL     1       6.579  -0.602   1.779  1.00  0.00           H  
HETATM   40  H   UNL     1       5.409  -2.448  -1.916  1.00  0.00           H  
HETATM   41  H   UNL     1       4.232  -0.397  -2.562  1.00  0.00           H  
HETATM   42  H   UNL     1       0.591   1.990  -1.327  1.00  0.00           H  
HETATM   43  H   UNL     1       4.179   2.174  -2.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.920  -1.193  -3.051  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.505  -1.741  -3.162  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.654  -0.079  -2.163  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.406   0.533  -1.904  1.00  0.00           H  
HETATM   48  H   UNL     1       7.263  -4.744  -0.160  1.00  0.00           H  
CONECT    1   21   21    2   32                                       
CONECT    2    3    3    1   20                                       
CONECT    3    4    2    2   33                                       
CONECT    4    5    5    3   34                                       
CONECT    5   25    4    4   21                                       
CONECT    6   24   24   29   25                                       
CONECT    7   19   19    8   29                                       
CONECT    8    9    9    7   35                                       
CONECT    9   10    8    8   36                                       
CONECT   10   11   11    9   37                                       
CONECT   11   26   10   10   19                                       
CONECT   12   13   22   18   18                                       
CONECT   13   14   14   12   38                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   17   17                                       
CONECT   16   30   30   15   31                                       
CONECT   17   15   15   18   40                                       
CONECT   18   12   12   17   41                                       
CONECT   19   11    7    7   42                                       
CONECT   20    2                                                      
CONECT   21    5   23    1    1                                       
CONECT   22   12   26   43                                            
CONECT   23   21   44   45                                            
CONECT   24    6    6                                                 
CONECT   25    6    5   46                                            
CONECT   26   22   28   28   27                                       
CONECT   26   27   11                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29    7    6   47                                            
CONECT   30   16   16                                                 
CONECT   31   16   48                                                 
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
