COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.927   1.557  -2.212  1.00  0.00           C  
HETATM    2  C   UNL     1       6.625   1.176  -0.905  1.00  0.00           C  
HETATM    3  C   UNL     1       5.609   1.191   0.239  1.00  0.00           C  
HETATM    4  C   UNL     1       6.311   0.830   1.550  1.00  0.00           C  
HETATM    5  C   UNL     1       7.406   1.858   1.843  1.00  0.00           C  
HETATM    6  O   UNL     1       5.036   2.495   0.350  1.00  0.00           O  
HETATM    7  C   UNL     1       4.522   0.187  -0.042  1.00  0.00           C  
HETATM    8  C   UNL     1       3.248   0.409   0.436  1.00  0.00           C  
HETATM    9  C   UNL     1       4.812  -0.950  -0.784  1.00  0.00           C  
HETATM   10  C   UNL     1       3.839  -1.872  -1.050  1.00  0.00           C  
HETATM   11  C   UNL     1       2.542  -1.670  -0.570  1.00  0.00           C  
HETATM   12  C   UNL     1       1.298  -2.432  -0.666  1.00  0.00           C  
HETATM   13  C   UNL     1       2.242  -0.516   0.179  1.00  0.00           C  
HETATM   14  N   UNL     1       0.907  -0.577   0.518  1.00  0.00           N  
HETATM   15  C   UNL     1       0.349  -1.729   0.008  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.056  -2.134   0.165  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.513  -3.397   0.398  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.907  -3.350   0.481  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.310  -2.089   0.305  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.531  -1.298   0.264  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.168  -1.297   0.110  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.638   0.381  -0.128  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.341   0.002   0.052  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.429   1.000  -0.030  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.131   2.345  -0.255  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.151   3.271  -0.331  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.466   2.869  -0.184  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.768   1.537   0.040  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.758   0.600   0.112  1.00  0.00           C  
HETATM   30  H   UNL     1       6.667   1.636  -3.009  1.00  0.00           H  
HETATM   31  H   UNL     1       5.196   0.791  -2.470  1.00  0.00           H  
HETATM   32  H   UNL     1       5.422   2.515  -2.088  1.00  0.00           H  
HETATM   33  H   UNL     1       7.052   0.178  -0.998  1.00  0.00           H  
HETATM   34  H   UNL     1       7.419   1.893  -0.695  1.00  0.00           H  
HETATM   35  H   UNL     1       5.585   0.830   2.363  1.00  0.00           H  
HETATM   36  H   UNL     1       6.758  -0.161   1.461  1.00  0.00           H  
HETATM   37  H   UNL     1       6.976   2.859   1.831  1.00  0.00           H  
HETATM   38  H   UNL     1       7.837   1.660   2.824  1.00  0.00           H  
HETATM   39  H   UNL     1       8.184   1.787   1.082  1.00  0.00           H  
HETATM   40  H   UNL     1       4.381   2.578   1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       3.032   1.298   1.010  1.00  0.00           H  
HETATM   42  H   UNL     1       5.814  -1.106  -1.156  1.00  0.00           H  
HETATM   43  H   UNL     1       4.072  -2.754  -1.628  1.00  0.00           H  
HETATM   44  H   UNL     1       1.159  -3.374  -1.176  1.00  0.00           H  
HETATM   45  H   UNL     1       0.431   0.091   1.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.965  -4.191   0.489  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.512  -1.731   0.394  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.104   2.660  -0.369  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.922   4.312  -0.505  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.261   3.598  -0.244  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.797   1.230   0.154  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.995  -0.439   0.286  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1   33   34                                       
CONECT    3    7    6    2    4                                       
CONECT    4    3    5   35   36                                       
CONECT    5    4   37   38   39                                       
CONECT    6    3   40                                                 
CONECT    7    9    9    8    3                                       
CONECT    8   13   13    7   41                                       
CONECT    9   10    7    7   42                                       
CONECT   10   11   11    9   43                                       
CONECT   11   12   10   10   13                                       
CONECT   12   15   15   11   44                                       
CONECT   13   11   14    8    8                                       
CONECT   14   15   13   45                                            
CONECT   15   16   12   12   14                                       
CONECT   16   21   21   17   15                                       
CONECT   17   18   16   46                                            
CONECT   18   19   19   17                                            
CONECT   19   20   21   18   18                                       
CONECT   20   23   23   19   47                                       
CONECT   21   22   19   16   16                                       
CONECT   22   23   21                                                 
CONECT   23   24   20   20   22                                       
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   48                                       
CONECT   26   27   27   25   49                                       
CONECT   27   26   26   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   24   52                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
