COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.203   0.662  -1.081  1.00  0.00           C  
HETATM    2  C   UNL     1       3.625   1.487  -2.116  1.00  0.00           C  
HETATM    3  C   UNL     1       4.860   2.101  -2.049  1.00  0.00           C  
HETATM    4  C   UNL     1       5.681   1.898  -0.955  1.00  0.00           C  
HETATM    5  C   UNL     1       5.266   1.078   0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       4.034   0.467   0.017  1.00  0.00           C  
HETATM    7  S   UNL     1       3.475  -0.577   1.325  1.00  0.00           S  
HETATM    8  N   UNL     1       1.850  -0.791   1.075  1.00  0.00           N  
HETATM    9  C   UNL     1       1.305  -0.478  -0.059  1.00  0.00           C  
HETATM   10  N   UNL     1       1.964   0.031  -1.141  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.147  -0.691  -0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.671  -1.982  -0.158  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.123  -2.143  -0.293  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.926  -0.998  -0.450  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.346   0.253  -0.475  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.018   0.415  -0.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.712  -3.411  -0.268  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.067  -3.531  -0.397  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.863  -2.405  -0.552  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.303  -1.146  -0.578  1.00  0.00           C  
HETATM   21  O   UNL     1       0.135  -3.054  -0.006  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.552   1.540  -0.370  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.198   1.434  -0.640  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.638   1.940   0.735  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.528   3.173   0.564  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.819   2.774  -0.153  1.00  0.00           C  
HETATM   27  O   UNL     1       3.606   0.172   2.525  1.00  0.00           O  
HETATM   28  O   UNL     1       4.086  -1.844   1.121  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.866   3.753   1.939  1.00  0.00           C  
HETATM   30  H   UNL     1       2.988   1.647  -2.974  1.00  0.00           H  
HETATM   31  H   UNL     1       5.187   2.741  -2.855  1.00  0.00           H  
HETATM   32  H   UNL     1       6.647   2.380  -0.908  1.00  0.00           H  
HETATM   33  H   UNL     1       5.906   0.919   0.935  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.933  -2.516  -0.653  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.639   2.216  -1.153  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.076   1.168  -1.227  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.196   1.158   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.759   2.205   1.323  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.001   3.922  -0.027  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.453   3.652  -0.275  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.578   2.361  -1.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.346   2.025   0.438  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.945   4.037   2.449  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.499   4.631   1.816  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.393   3.004   2.530  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.099  -4.291  -0.148  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.522  -4.510  -0.378  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.932  -0.276  -0.699  1.00  0.00           H  
HETATM   49  H   UNL     1       1.540  -0.051  -2.010  1.00  0.00           H  
HETATM   50  H   UNL     1       1.078  -2.840  -0.005  1.00  0.00           H  
CONECT    1    2    2    6   10                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   27   27                                       
CONECT    7   28   28                                                 
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   11                                       
CONECT   10    1    9   49                                            
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   21                                       
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   16   23                                            
CONECT   16   11   15   22   22                                       
CONECT   17   13   13   18   46                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20   34                                       
CONECT   20   14   14   19   48                                       
CONECT   21   12   50                                                 
CONECT   22   16   16                                                 
CONECT   23   15   24   35   36                                       
CONECT   24   23   25   37   38                                       
CONECT   25   24   26   29   39                                       
CONECT   26   25   40   41   42                                       
CONECT   27    7    7                                                 
CONECT   28    7    7                                                 
CONECT   29   25   43   44   45                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34   19                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   10                                                      
CONECT   50   21                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
