COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.966   1.611  -2.602  1.00  0.00           O  
HETATM    2  C   UNL     1       3.532   2.456  -1.843  1.00  0.00           C  
HETATM    3  O   UNL     1       3.045   3.614  -2.332  1.00  0.00           O  
HETATM    4  C   UNL     1       3.532   2.211  -0.391  1.00  0.00           C  
HETATM    5  C   UNL     1       3.034   3.180   0.486  1.00  0.00           C  
HETATM    6  C   UNL     1       3.037   2.945   1.843  1.00  0.00           C  
HETATM    7  C   UNL     1       2.500   3.991   2.786  1.00  0.00           C  
HETATM    8  C   UNL     1       3.532   1.752   2.346  1.00  0.00           C  
HETATM    9  C   UNL     1       4.027   0.786   1.495  1.00  0.00           C  
HETATM   10  C   UNL     1       4.028   1.002   0.122  1.00  0.00           C  
HETATM   11  N   UNL     1       4.525   0.031  -0.737  1.00  0.00           N  
HETATM   12  S   UNL     1       4.301  -1.573  -0.392  1.00  0.00           S  
HETATM   13  O   UNL     1       4.791  -2.296  -1.513  1.00  0.00           O  
HETATM   14  O   UNL     1       4.782  -1.769   0.931  1.00  0.00           O  
HETATM   15  C   UNL     1       2.563  -1.857  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       1.877  -1.711   0.853  1.00  0.00           C  
HETATM   17  C   UNL     1       0.512  -1.935   0.896  1.00  0.00           C  
HETATM   18 CL   UNL     1      -0.352  -1.751   2.391  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.886  -2.221  -1.486  1.00  0.00           C  
HETATM   20  C   UNL     1       0.522  -2.445  -1.444  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.164  -2.305  -0.253  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.651  -2.548  -0.207  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.357  -1.265  -0.248  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.704  -1.237  -0.217  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.333  -2.276  -0.156  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.415   0.054  -0.259  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.870   0.259  -0.228  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.989  -0.566  -0.157  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.237  -0.008  -0.149  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.394   1.371  -0.210  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.308   2.198  -0.280  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.027   1.658  -0.289  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.760   2.179  -0.350  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.873   1.251  -0.325  1.00  0.00           N  
HETATM   35  H   UNL     1       3.062   3.727  -3.292  1.00  0.00           H  
HETATM   36  H   UNL     1       2.648   4.111   0.099  1.00  0.00           H  
HETATM   37  H   UNL     1       1.434   3.825   2.943  1.00  0.00           H  
HETATM   38  H   UNL     1       3.023   3.923   3.739  1.00  0.00           H  
HETATM   39  H   UNL     1       2.654   4.981   2.356  1.00  0.00           H  
HETATM   40  H   UNL     1       3.534   1.579   3.412  1.00  0.00           H  
HETATM   41  H   UNL     1       4.411  -0.141   1.895  1.00  0.00           H  
HETATM   42  H   UNL     1       5.003   0.293  -1.540  1.00  0.00           H  
HETATM   43  H   UNL     1       2.405  -1.423   1.750  1.00  0.00           H  
HETATM   44  H   UNL     1       2.423  -2.331  -2.417  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.006  -2.729  -2.342  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.946  -3.153  -1.064  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.905  -3.074   0.714  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.856  -0.437  -0.297  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.872  -1.638  -0.110  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.108  -0.645  -0.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.387   1.794  -0.203  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.445   3.269  -0.327  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.560   3.126  -0.400  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   35                                                 
CONECT    4   10   10    5    2                                       
CONECT    5    6    6    4   36                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6   37   38   39                                       
CONECT    8    9    9    6   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11    4    4                                       
CONECT   11   10   12   42                                            
CONECT   12   11   14   14   13                                       
CONECT   12   13   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   19   19   16                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   21   18                                       
CONECT   18   17                                                      
CONECT   19   15   15   20   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   23   46   47                                       
CONECT   23   22   24   48                                            
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   34   34                                       
CONECT   27   28   26   32   32                                       
CONECT   28   29   29   27   49                                       
CONECT   29   28   28   30   50                                       
CONECT   30   29   31   31   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   27   27   31   33                                       
CONECT   33   34   32   53                                            
CONECT   34   26   26   33                                            
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
