COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.062  -1.130   2.258  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.777  -1.824   1.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.196  -1.212   1.147  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.126   0.171   1.727  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.386   0.370   2.668  1.00  0.00           O  
HETATM    6  N   UNL     1      -2.847   1.193   1.248  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.827   2.479   1.949  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.613   1.053   0.098  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.509   2.046  -0.285  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.258   1.864  -1.430  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.126   0.767  -2.152  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.281  -0.190  -1.825  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.490  -0.082  -0.695  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.514  -1.165  -0.359  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.134  -0.868  -0.983  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.174  -1.606  -0.140  1.00  0.00           N  
HETATM   17  S   UNL     1       1.334  -2.106  -0.607  1.00  0.00           S  
HETATM   18  O   UNL     1       1.675  -3.197   0.237  1.00  0.00           O  
HETATM   19  O   UNL     1       1.305  -2.201  -2.025  1.00  0.00           O  
HETATM   20  C   UNL     1       2.459  -0.806  -0.219  1.00  0.00           C  
HETATM   21  C   UNL     1       2.717   0.183  -1.149  1.00  0.00           C  
HETATM   22  C   UNL     1       3.601   1.206  -0.845  1.00  0.00           C  
HETATM   23  O   UNL     1       4.022   2.283  -1.571  1.00  0.00           O  
HETATM   24  C   UNL     1       5.218   2.744  -0.915  1.00  0.00           C  
HETATM   25  O   UNL     1       5.041   2.329   0.452  1.00  0.00           O  
HETATM   26  C   UNL     1       4.227   1.235   0.398  1.00  0.00           C  
HETATM   27  C   UNL     1       3.963   0.240   1.326  1.00  0.00           C  
HETATM   28  C   UNL     1       3.076  -0.775   1.018  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.475  -1.147   3.206  1.00  0.00           H  
HETATM   30  H   UNL     1       1.013  -1.651   2.369  1.00  0.00           H  
HETATM   31  H   UNL     1       0.246  -0.096   1.964  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.839  -2.892   1.393  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.908  -1.831   1.693  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.021   3.097   1.553  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.780   2.988   1.802  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.666   2.311   3.014  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.617   2.945   0.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.959   2.626  -1.738  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.206  -1.070  -2.446  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.892  -2.131  -0.696  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.095  -1.231  -2.010  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.925   0.201  -0.951  1.00  0.00           H  
HETATM   43  H   UNL     1       2.230   0.159  -2.112  1.00  0.00           H  
HETATM   44  H   UNL     1       6.099   2.269  -1.348  1.00  0.00           H  
HETATM   45  H   UNL     1       5.296   3.829  -0.979  1.00  0.00           H  
HETATM   46  H   UNL     1       4.448   0.259   2.290  1.00  0.00           H  
HETATM   47  H   UNL     1       2.868  -1.548   1.743  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   16    1    3   32                                       
CONECT    3    2   14    4   33                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    8    4    7                                            
CONECT    7    6   34   35   36                                       
CONECT    8   13   13    9    6                                       
CONECT    9   10   10    8   37                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   39                                       
CONECT   13   12   14    8    8                                       
CONECT   14   15    3   13   40                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   15    2                                            
CONECT   17   19   19   18   18                                       
CONECT   17   20   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   28                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   23   26   26                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   44   45                                       
CONECT   25   24   26                                                 
CONECT   26   22   22   27   25                                       
CONECT   27   28   28   26   46                                       
CONECT   28   20   27   27   47                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
