COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.699  -0.441   0.904  1.00  0.00           C  
HETATM    2  C   UNL     1       2.232  -2.054   0.768  1.00  0.00           C  
HETATM    3  C   UNL     1       3.053  -1.097   1.206  1.00  0.00           C  
HETATM    4  C   UNL     1       4.529  -1.248   1.468  1.00  0.00           C  
HETATM    5  C   UNL     1       5.298  -0.922   0.213  1.00  0.00           C  
HETATM    6  C   UNL     1       5.632   0.410  -0.084  1.00  0.00           C  
HETATM    7  S   UNL     1       2.109   0.374   1.424  1.00  0.00           S  
HETATM    8  N   UNL     1       0.978  -1.674   0.616  1.00  0.00           N  
HETATM    9  C   UNL     1       5.263   1.463   0.770  1.00  0.00           C  
HETATM   10  C   UNL     1       5.604   2.741   0.449  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.771  -0.812  -0.706  1.00  0.00           N  
HETATM   12  C   UNL     1       6.316   3.023  -0.716  1.00  0.00           C  
HETATM   13  C   UNL     1       6.690   2.029  -1.566  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.451  -1.772   0.098  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.610  -0.607   0.392  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.979   0.015   0.290  1.00  0.00           C  
HETATM   17  S   UNL     1      -4.163  -1.223  -0.295  1.00  0.00           S  
HETATM   18  C   UNL     1      -5.633  -0.253  -0.320  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.576   1.020   0.047  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.661   1.775   0.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.587   3.221   0.458  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.868   1.221  -0.359  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.893  -0.112  -0.737  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.182  -0.756  -1.176  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.564   0.132   0.810  1.00  0.00           N  
HETATM   26  C   UNL     1       5.678  -1.917  -0.634  1.00  0.00           C  
HETATM   27  C   UNL     1       6.390  -1.635  -1.799  1.00  0.00           C  
HETATM   28  C   UNL     1       6.726  -0.357  -2.122  1.00  0.00           C  
HETATM   29  C   UNL     1       6.355   0.697  -1.269  1.00  0.00           C  
HETATM   30  H   UNL     1       2.568  -3.058   0.555  1.00  0.00           H  
HETATM   31  H   UNL     1       4.828  -0.568   2.265  1.00  0.00           H  
HETATM   32  H   UNL     1       4.741  -2.275   1.768  1.00  0.00           H  
HETATM   33  H   UNL     1       4.711   1.260   1.675  1.00  0.00           H  
HETATM   34  H   UNL     1       5.319   3.549   1.107  1.00  0.00           H  
HETATM   35  H   UNL     1       6.574   4.046  -0.947  1.00  0.00           H  
HETATM   36  H   UNL     1       7.240   2.262  -2.466  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.288   0.378   1.271  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.948   0.849  -0.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.373   3.841  -0.412  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.540   3.522   0.894  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.794   3.345   1.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.769   1.816  -0.374  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.689  -1.183  -0.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.823  -0.006  -1.640  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.967  -1.545  -1.897  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.692   1.065   1.045  1.00  0.00           H  
HETATM   47  H   UNL     1       5.424  -2.941  -0.400  1.00  0.00           H  
HETATM   48  H   UNL     1       6.679  -2.443  -2.454  1.00  0.00           H  
HETATM   49  H   UNL     1       7.278  -0.153  -3.028  1.00  0.00           H  
CONECT    1   25    7    8    8                                       
CONECT    2    8    3    3   30                                       
CONECT    3    7    2    2    4                                       
CONECT    4    3    5   31   32                                       
CONECT    5    6    4   26   26                                       
CONECT    6    9    9   29    5                                       
CONECT    7    1    3                                                 
CONECT    8    1    1    2                                            
CONECT    9   10    6    6   33                                       
CONECT   10   12   12    9   34                                       
CONECT   11   18   18   23                                            
CONECT   12   10   10   13   35                                       
CONECT   13   12   29   29   36                                       
CONECT   14   15   15                                                 
CONECT   15   16   14   14   25                                       
CONECT   16   17   15   37   38                                       
CONECT   17   18   16                                                 
CONECT   18   17   11   11   19                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   22   21                                       
CONECT   21   20   39   40   41                                       
CONECT   22   23   23   20   42                                       
CONECT   23   11   24   22   22                                       
CONECT   24   23   43   44   45                                       
CONECT   25   15    1   46                                            
CONECT   26    5    5   27   47                                       
CONECT   27   28   28   26   48                                       
CONECT   28   29   27   27   49                                       
CONECT   29   13   13    6   28                                       
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
