COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.278  -3.297   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.221  -0.634   0.879  1.00  0.00           C  
HETATM    3  N   UNL     1       0.192  -0.702   0.949  1.00  0.00           N  
HETATM    4  C   UNL     1       1.266  -1.023   0.200  1.00  0.00           C  
HETATM    5  C   UNL     1       6.028   1.832   0.896  1.00  0.00           C  
HETATM    6  C   UNL     1       7.244   1.682   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1       7.362   0.700  -0.722  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.557   2.323  -0.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.798   2.196  -1.631  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.633   1.455  -1.612  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.224   0.837  -0.439  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.987   0.966   0.712  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.151   1.708   0.689  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.078   0.107  -0.418  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.718  -0.501   0.824  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.429  -1.264   0.656  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.458  -2.594   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.066  -2.672   0.344  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.034  -1.337   0.724  1.00  0.00           C  
HETATM   20  O   UNL     1       1.192  -1.921  -0.612  1.00  0.00           O  
HETATM   21  C   UNL     1       2.558  -0.267   0.372  1.00  0.00           C  
HETATM   22  S   UNL     1       3.800  -0.928  -0.766  1.00  0.00           S  
HETATM   23  C   UNL     1       5.167   0.108  -0.363  1.00  0.00           C  
HETATM   24  N   UNL     1       5.021   1.038   0.570  1.00  0.00           N  
HETATM   25  N   UNL     1       6.317  -0.061  -1.001  1.00  0.00           N  
HETATM   26  C   UNL     1       8.666   0.502  -1.452  1.00  0.00           C  
HETATM   27  C   UNL     1       5.855   2.882   1.963  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.304  -4.337  -0.169  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.199   0.405   1.174  1.00  0.00           H  
HETATM   30  H   UNL     1       0.270  -0.030   1.645  1.00  0.00           H  
HETATM   31  H   UNL     1       8.082   2.317   0.496  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.465   2.907  -0.497  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.117   2.678  -2.543  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.041   1.356  -2.510  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.670   0.486   1.627  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.743   1.812   1.586  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.587   0.271   1.582  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.508  -1.186   1.136  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.404  -3.084   0.104  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.144  -3.222   0.222  1.00  0.00           H  
HETATM   41  H   UNL     1       2.393   0.789   0.156  1.00  0.00           H  
HETATM   42  H   UNL     1       2.910  -0.377   1.398  1.00  0.00           H  
HETATM   43  H   UNL     1       9.279  -0.219  -0.911  1.00  0.00           H  
HETATM   44  H   UNL     1       8.467   0.128  -2.456  1.00  0.00           H  
HETATM   45  H   UNL     1       9.194   1.453  -1.516  1.00  0.00           H  
HETATM   46  H   UNL     1       5.517   3.812   1.506  1.00  0.00           H  
HETATM   47  H   UNL     1       5.116   2.544   2.690  1.00  0.00           H  
HETATM   48  H   UNL     1       6.808   3.049   2.466  1.00  0.00           H  
CONECT    1   17   17   18   28                                       
CONECT    2   16   16   19   29                                       
CONECT    3   19    4   30                                            
CONECT    4    3   20   20   21                                       
CONECT    5   27    6    6   24                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6   26   25   25                                       
CONECT    8    9   13   13   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   14   12   12                                       
CONECT   12   11   11   13   35                                       
CONECT   13    8    8   12   36                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   37   38                                       
CONECT   16   17   15    2    2                                       
CONECT   17    1    1   16   39                                       
CONECT   18    1   19   19   40                                       
CONECT   19   18   18    2    3                                       
CONECT   20    4    4                                                 
CONECT   21    4   22   41   42                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   25   22                                       
CONECT   24    5   23   23                                            
CONECT   25    7    7   23                                            
CONECT   26    7   43   44   45                                       
CONECT   27    5   46   47   48                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
