COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.293  -0.882  -2.649  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.623  -0.910  -1.387  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.179   0.145  -0.600  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.502   0.170   0.772  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.086   0.511   0.611  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.710   1.778   0.646  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.516   2.676   0.810  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.275   2.055   0.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.619   3.252   0.474  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.219   3.289   0.295  1.00  0.00           C  
HETATM   11  C   UNL     1       0.567   4.427   0.263  1.00  0.00           C  
HETATM   12  C   UNL     1       1.884   4.002   0.071  1.00  0.00           C  
HETATM   13  C   UNL     1       1.858   2.639  -0.017  1.00  0.00           C  
HETATM   14  O   UNL     1       0.587   2.220   0.120  1.00  0.00           O  
HETATM   15  C   UNL     1       3.032   1.768  -0.227  1.00  0.00           C  
HETATM   16  C   UNL     1       4.042   2.156  -1.113  1.00  0.00           C  
HETATM   17  C   UNL     1       5.140   1.344  -1.311  1.00  0.00           C  
HETATM   18  C   UNL     1       5.250   0.143  -0.635  1.00  0.00           C  
HETATM   19 CL   UNL     1       6.636  -0.871  -0.890  1.00  0.00          Cl  
HETATM   20  C   UNL     1       4.248  -0.257   0.255  1.00  0.00           C  
HETATM   21  C   UNL     1       3.138   0.561   0.463  1.00  0.00           C  
HETATM   22  C   UNL     1       4.367  -1.540   0.976  1.00  0.00           C  
HETATM   23  O   UNL     1       5.336  -2.250   0.797  1.00  0.00           O  
HETATM   24  O   UNL     1       3.400  -1.923   1.833  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.621   0.403   0.285  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.159  -0.492   0.430  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.359  -1.790   0.373  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.302  -2.637   0.178  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.179  -3.795   0.951  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.111  -4.644   0.749  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.163  -4.352  -0.216  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.279  -3.207  -0.985  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.344  -2.351  -0.797  1.00  0.00           C  
HETATM   34  H   UNL     1      -5.900  -1.673  -3.287  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.361  -1.034  -2.497  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.128   0.085  -3.126  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.016   1.098  -1.103  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.249  -0.021  -0.474  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.986   0.915   1.402  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.589  -0.812   1.237  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.171   4.170   0.606  1.00  0.00           H  
HETATM   42  H   UNL     1       0.228   5.447   0.373  1.00  0.00           H  
HETATM   43  H   UNL     1       2.758   4.633   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1       3.962   3.093  -1.645  1.00  0.00           H  
HETATM   45  H   UNL     1       5.916   1.648  -1.997  1.00  0.00           H  
HETATM   46  H   UNL     1       2.361   0.258   1.149  1.00  0.00           H  
HETATM   47  H   UNL     1       3.478  -2.763   2.305  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.918  -4.024   1.704  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.014  -5.539   1.345  1.00  0.00           H  
HETATM   50  H   UNL     1       0.671  -5.020  -0.370  1.00  0.00           H  
HETATM   51  H   UNL     1       0.465  -2.985  -1.736  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.433  -1.458  -1.398  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   37   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   26                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   25                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12   14   15                                       
CONECT   14   10   13                                                 
CONECT   15   13   16   16   21                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   20                                       
CONECT   19   18                                                      
CONECT   20   18   21   21   22                                       
CONECT   21   15   20   20   46                                       
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   47                                                 
CONECT   25    8   26                                                 
CONECT   26    5   25   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   48                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   31   33   33   51                                       
CONECT   33   28   32   32   52                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
