COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.744   0.785   0.451  1.00  0.00           C  
HETATM    2  C   UNL     1       4.223   2.716  -0.543  1.00  0.00           C  
HETATM    3  C   UNL     1       3.769   4.116  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       4.897  -1.586   0.799  1.00  0.00           C  
HETATM    5  C   UNL     1       3.713  -1.767   0.107  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.993   0.311   0.865  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.526  -0.667   1.945  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.473   2.007   0.481  1.00  0.00           O  
HETATM    9  S   UNL     1      -6.851   0.742   0.305  1.00  0.00           S  
HETATM   10  N   UNL     1      -5.232   1.086   0.258  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.259   0.008   0.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.909  -0.097  -1.425  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.918  -1.247  -1.632  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.760  -1.038  -0.752  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.509  -1.033  -1.253  1.00  0.00           C  
HETATM   16  C   UNL     1       0.669  -0.816  -0.338  1.00  0.00           C  
HETATM   17  O   UNL     1       1.877  -0.853  -1.100  1.00  0.00           O  
HETATM   18  C   UNL     1       3.041  -0.674  -0.420  1.00  0.00           C  
HETATM   19  C   UNL     1       3.554   0.606  -0.245  1.00  0.00           C  
HETATM   20  O   UNL     1       5.033   2.119   0.487  1.00  0.00           O  
HETATM   21  C   UNL     1       4.991   2.772  -1.865  1.00  0.00           C  
HETATM   22  O   UNL     1       3.094   1.828  -0.646  1.00  0.00           O  
HETATM   23  C   UNL     1       5.412  -0.314   0.972  1.00  0.00           C  
HETATM   24 CL   UNL     1       6.899  -0.093   1.841  1.00  0.00          Cl  
HETATM   25 CL   UNL     1       3.070  -3.365  -0.108  1.00  0.00          Cl  
HETATM   26  O   UNL     1      -0.331  -1.201  -2.441  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.992  -0.835   0.684  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.054  -0.279   1.790  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.079  -0.030  -0.866  1.00  0.00           O  
HETATM   30  H   UNL     1       4.643   4.749   0.033  1.00  0.00           H  
HETATM   31  H   UNL     1       3.148   4.546  -0.913  1.00  0.00           H  
HETATM   32  H   UNL     1       3.194   4.052   0.797  1.00  0.00           H  
HETATM   33  H   UNL     1       5.418  -2.439   1.208  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.549   1.241   0.509  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.247   0.409   1.921  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.648  -1.280   2.838  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.131   0.235   2.039  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.847  -1.231   1.070  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.927   2.001   0.361  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.688  -0.934   0.401  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.815  -0.289  -2.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.457   0.837  -1.759  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.400  -2.193  -1.383  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.590  -1.264  -2.671  1.00  0.00           H  
HETATM   45  H   UNL     1       0.576   0.154   0.150  1.00  0.00           H  
HETATM   46  H   UNL     1       0.691  -1.602   0.417  1.00  0.00           H  
HETATM   47  H   UNL     1       5.868   3.408  -1.750  1.00  0.00           H  
HETATM   48  H   UNL     1       5.305   1.766  -2.145  1.00  0.00           H  
HETATM   49  H   UNL     1       4.345   3.180  -2.643  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.052  -0.579   1.174  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.398  -1.747   1.122  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.733   0.285   2.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.449  -1.181   1.697  1.00  0.00           H  
CONECT    1   19   19   20   23                                       
CONECT    2    3   20   21   22                                       
CONECT    3    2   30   31   32                                       
CONECT    4    5   23   23   33                                       
CONECT    5    4   18   18   25                                       
CONECT    6   11   27   34   35                                       
CONECT    7   28   36   37   38                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   28                                       
CONECT    9   29   29                                                 
CONECT   10    9   11   39                                            
CONECT   11    6   10   12   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   27                                            
CONECT   15   14   16   26   26                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   18                                                 
CONECT   18    5    5   17   19                                       
CONECT   19    1    1   18   22                                       
CONECT   20    1    2                                                 
CONECT   21    2   47   48   49                                       
CONECT   22    2   19                                                 
CONECT   23    1    4    4   24                                       
CONECT   24   23                                                      
CONECT   25    5                                                      
CONECT   26   15   15                                                 
CONECT   27    6   14   50   51                                       
CONECT   28    7    9   52   53                                       
CONECT   29    9    9                                                 
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
