COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.212   1.308   0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.587   1.408   0.150  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.366   0.265   0.200  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.772  -0.984   0.204  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.398  -1.098   0.158  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.607   0.050   0.102  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.134  -0.064   0.053  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.989   1.277  -0.020  1.00  0.00           S  
HETATM    9  N   UNL     1      -4.449  -1.173   0.062  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.192  -1.087   0.014  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.668   0.106  -0.038  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.314   0.402  -0.095  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.406  -0.594  -0.100  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.774  -1.754  -0.054  1.00  0.00           O  
HETATM   15  C   UNL     1       0.977  -0.292  -0.158  1.00  0.00           C  
HETATM   16  S   UNL     1       1.636   1.330  -0.227  1.00  0.00           S  
HETATM   17  C   UNL     1       3.293   0.740  -0.272  1.00  0.00           C  
HETATM   18  N   UNL     1       4.441   1.419  -0.341  1.00  0.00           N  
HETATM   19  C   UNL     1       5.610   0.813  -0.376  1.00  0.00           C  
HETATM   20  C   UNL     1       6.873   1.649  -0.457  1.00  0.00           C  
HETATM   21  C   UNL     1       7.606   1.552   0.883  1.00  0.00           C  
HETATM   22  C   UNL     1       8.504   0.332   0.924  1.00  0.00           C  
HETATM   23  C   UNL     1       7.763  -0.991   0.946  1.00  0.00           C  
HETATM   24  C   UNL     1       7.049  -1.239  -0.386  1.00  0.00           C  
HETATM   25  C   UNL     1       5.697  -0.559  -0.339  1.00  0.00           C  
HETATM   26  C   UNL     1       4.553  -1.322  -0.265  1.00  0.00           C  
HETATM   27  C   UNL     1       3.305  -0.659  -0.232  1.00  0.00           C  
HETATM   28  C   UNL     1       1.966  -1.220  -0.162  1.00  0.00           C  
HETATM   29  N   UNL     1       1.721  -2.585  -0.113  1.00  0.00           N  
HETATM   30  H   UNL     1      -6.606   2.201   0.065  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.057   2.380   0.148  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.442   0.349   0.236  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.385  -1.872   0.242  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.935  -2.074   0.162  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.020   1.326  -0.132  1.00  0.00           H  
HETATM   36  H   UNL     1       7.513   1.269  -1.253  1.00  0.00           H  
HETATM   37  H   UNL     1       6.612   2.687  -0.661  1.00  0.00           H  
HETATM   38  H   UNL     1       8.211   2.447   1.025  1.00  0.00           H  
HETATM   39  H   UNL     1       6.873   1.484   1.687  1.00  0.00           H  
HETATM   40  H   UNL     1       9.153   0.350   0.049  1.00  0.00           H  
HETATM   41  H   UNL     1       9.129   0.392   1.815  1.00  0.00           H  
HETATM   42  H   UNL     1       8.474  -1.797   1.127  1.00  0.00           H  
HETATM   43  H   UNL     1       7.027  -0.977   1.750  1.00  0.00           H  
HETATM   44  H   UNL     1       7.641  -0.823  -1.201  1.00  0.00           H  
HETATM   45  H   UNL     1       6.916  -2.310  -0.536  1.00  0.00           H  
HETATM   46  H   UNL     1       4.608  -2.400  -0.233  1.00  0.00           H  
HETATM   47  H   UNL     1       2.462  -3.212  -0.126  1.00  0.00           H  
HETATM   48  H   UNL     1       0.809  -2.913  -0.067  1.00  0.00           H  
CONECT    1    6    2    2   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4    5    3    3   33                                       
CONECT    5    6    6    4   34                                       
CONECT    6    7    5    5    1                                       
CONECT    7    8    9    9    6                                       
CONECT    8   11    7                                                 
CONECT    9   10    7    7                                            
CONECT   10   11   11    9                                            
CONECT   11   12   10   10    8                                       
CONECT   12   13   11   35                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   28   28   13                                       
CONECT   16   17   15                                                 
CONECT   17   18   18   27   16                                       
CONECT   18   19   17   17                                            
CONECT   19   20   25   25   18                                       
CONECT   20   21   19   36   37                                       
CONECT   21   22   20   38   39                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   24   42   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24   19   19   26                                       
CONECT   26   25   27   27   46                                       
CONECT   27   26   26   17   28                                       
CONECT   28   27   29   15   15                                       
CONECT   29   28   47   48                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   12                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
