COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.984   0.800   0.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.997  -0.139   0.012  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.690  -1.486   0.050  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.370  -1.891   0.100  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.660   0.396   0.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.353  -0.951   0.114  1.00  0.00           C  
HETATM    7  C   UNL     1       0.149  -1.133   0.158  1.00  0.00           C  
HETATM    8  C   UNL     1       0.710   0.243   0.577  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.385   1.212   0.093  1.00  0.00           C  
HETATM   10  S   UNL     1      -5.679   0.380  -0.051  1.00  0.00           S  
HETATM   11  O   UNL     1      -6.449  -0.684   0.491  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.711   1.704   0.466  1.00  0.00           O  
HETATM   13  N   UNL     1      -6.098   0.493  -1.650  1.00  0.00           N  
HETATM   14  N   UNL     1       1.985   0.512  -0.094  1.00  0.00           N  
HETATM   15  C   UNL     1       3.137   0.071   0.448  1.00  0.00           C  
HETATM   16  O   UNL     1       3.129  -0.470   1.533  1.00  0.00           O  
HETATM   17  C   UNL     1       4.436   0.248  -0.296  1.00  0.00           C  
HETATM   18  C   UNL     1       5.127   1.526   0.182  1.00  0.00           C  
HETATM   19  C   UNL     1       6.381   1.773  -0.659  1.00  0.00           C  
HETATM   20  C   UNL     1       7.072   3.052  -0.181  1.00  0.00           C  
HETATM   21  C   UNL     1       5.345  -0.953  -0.029  1.00  0.00           C  
HETATM   22  C   UNL     1       4.715  -2.213  -0.629  1.00  0.00           C  
HETATM   23  C   UNL     1       5.680  -3.389  -0.473  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.225   1.852  -0.004  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.480  -2.222   0.040  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.131  -2.944   0.130  1.00  0.00           H  
HETATM   27  H   UNL     1       0.418  -1.890   0.894  1.00  0.00           H  
HETATM   28  H   UNL     1       0.526  -1.412  -0.826  1.00  0.00           H  
HETATM   29  H   UNL     1       0.820   0.303   1.659  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.159   1.568  -0.912  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.478   2.052   0.781  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.446   0.284  -2.337  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.994   0.767  -1.898  1.00  0.00           H  
HETATM   34  H   UNL     1       1.999   1.008  -0.927  1.00  0.00           H  
HETATM   35  H   UNL     1       4.235   0.321  -1.365  1.00  0.00           H  
HETATM   36  H   UNL     1       4.445   2.370   0.074  1.00  0.00           H  
HETATM   37  H   UNL     1       5.407   1.418   1.230  1.00  0.00           H  
HETATM   38  H   UNL     1       7.063   0.930  -0.551  1.00  0.00           H  
HETATM   39  H   UNL     1       6.101   1.882  -1.707  1.00  0.00           H  
HETATM   40  H   UNL     1       7.352   2.943   0.867  1.00  0.00           H  
HETATM   41  H   UNL     1       7.966   3.228  -0.780  1.00  0.00           H  
HETATM   42  H   UNL     1       6.391   3.895  -0.289  1.00  0.00           H  
HETATM   43  H   UNL     1       6.319  -0.781  -0.487  1.00  0.00           H  
HETATM   44  H   UNL     1       5.467  -1.085   1.046  1.00  0.00           H  
HETATM   45  H   UNL     1       3.783  -2.435  -0.109  1.00  0.00           H  
HETATM   46  H   UNL     1       4.511  -2.048  -1.687  1.00  0.00           H  
HETATM   47  H   UNL     1       5.232  -4.286  -0.900  1.00  0.00           H  
HETATM   48  H   UNL     1       6.612  -3.166  -0.992  1.00  0.00           H  
HETATM   49  H   UNL     1       5.885  -3.554   0.585  1.00  0.00           H  
CONECT    1    5    2    2   24                                       
CONECT    2    1    1    3   10                                       
CONECT    3    4    4    2   25                                       
CONECT    4    6    3    3   26                                       
CONECT    5    9    6    6    1                                       
CONECT    6    7    5    5    4                                       
CONECT    7    8    6   27   28                                       
CONECT    8   14    7    9   29                                       
CONECT    9    8    5   30   31                                       
CONECT   10    2   13   12   12                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   32   33                                            
CONECT   14   15    8   34                                            
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   21   15   18   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   18   20   38   39                                       
CONECT   20   19   40   41   42                                       
CONECT   21   22   17   43   44                                       
CONECT   22   23   21   45   46                                       
CONECT   23   22   47   48   49                                       
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
