COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.447   0.045   1.191  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.492   0.089  -0.258  1.00  0.00           S  
HETATM    3  C   UNL     1      -1.186   0.049  -1.479  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.066   0.005  -0.654  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.242   0.011   0.655  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.272   0.059  -2.952  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.810   0.052   2.531  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.860   0.013   3.486  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.253   0.021   4.941  1.00  0.00           C  
HETATM   10  O   UNL     1       0.311  -0.026   3.175  1.00  0.00           O  
HETATM   11  C   UNL     1       0.005  -0.028   5.810  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.394  -0.020   7.287  1.00  0.00           C  
HETATM   13  C   UNL     1       0.864  -0.069   8.156  1.00  0.00           C  
HETATM   14  C   UNL     1       0.464  -0.062   9.632  1.00  0.00           C  
HETATM   15  C   UNL     1       1.295  -0.040  -1.233  1.00  0.00           C  
HETATM   16  C   UNL     1       2.329   0.691  -0.648  1.00  0.00           C  
HETATM   17  C   UNL     1       3.596   0.646  -1.190  1.00  0.00           C  
HETATM   18  C   UNL     1       3.844  -0.126  -2.317  1.00  0.00           C  
HETATM   19  C   UNL     1       2.818  -0.856  -2.901  1.00  0.00           C  
HETATM   20  C   UNL     1       1.549  -0.820  -2.361  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.365   0.812  -3.702  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.447   0.815  -5.078  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.434   0.078  -5.718  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.341  -0.667  -4.977  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.264  -0.679  -3.601  1.00  0.00           C  
HETATM   26  O   UNL     1       5.094  -0.168  -2.848  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.514   0.088  -7.075  1.00  0.00           O  
HETATM   28  H   UNL     1      -2.747   0.084   2.780  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.875  -0.848   5.153  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.812   0.930   5.162  1.00  0.00           H  
HETATM   31  H   UNL     1       0.627   0.841   5.597  1.00  0.00           H  
HETATM   32  H   UNL     1       0.563  -0.937   5.589  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.016  -0.890   7.499  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.953   0.888   7.508  1.00  0.00           H  
HETATM   35  H   UNL     1       1.486   0.799   7.943  1.00  0.00           H  
HETATM   36  H   UNL     1       1.422  -0.979   7.935  1.00  0.00           H  
HETATM   37  H   UNL     1       1.361  -0.097  10.251  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.094   0.846   9.853  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.157  -0.931   9.845  1.00  0.00           H  
HETATM   40  H   UNL     1       2.136   1.293   0.227  1.00  0.00           H  
HETATM   41  H   UNL     1       4.396   1.213  -0.738  1.00  0.00           H  
HETATM   42  H   UNL     1       3.014  -1.456  -3.778  1.00  0.00           H  
HETATM   43  H   UNL     1       0.752  -1.389  -2.817  1.00  0.00           H  
HETATM   44  H   UNL     1       0.403   1.385  -3.204  1.00  0.00           H  
HETATM   45  H   UNL     1       0.256   1.393  -5.658  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.108  -1.238  -5.480  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.970  -1.260  -3.025  1.00  0.00           H  
HETATM   48  H   UNL     1       5.557  -0.900  -2.416  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.099   0.819  -7.315  1.00  0.00           H  
CONECT    1    2    5    5    7                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   15                                       
CONECT    5    1    1    4                                            
CONECT    6    3   21   21   25                                       
CONECT    7    1    8   28                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   11   29   30                                       
CONECT   10    8    8                                                 
CONECT   11    9   12   31   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   35   36                                       
CONECT   14   13   37   38   39                                       
CONECT   15    4   16   16   20                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   26                                       
CONECT   19   18   20   20   42                                       
CONECT   20   15   19   19   43                                       
CONECT   21    6    6   22   44                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   27                                       
CONECT   24   23   25   25   46                                       
CONECT   25    6   24   24   47                                       
CONECT   26   18   48                                                 
CONECT   27   23   49                                                 
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
