COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.010   0.703   1.404  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.825   0.541   0.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.981  -1.021  -1.269  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.302  -0.438  -0.836  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.720   0.635  -0.033  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.768  -1.585  -0.482  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.172  -1.086   1.367  1.00  0.00           C  
HETATM    8  C   UNL     1       1.642   0.841   0.458  1.00  0.00           C  
HETATM    9  C   UNL     1       4.250   0.116  -0.124  1.00  0.00           C  
HETATM   10  O   UNL     1       6.163  -1.545   0.225  1.00  0.00           O  
HETATM   11  S   UNL     1       5.910  -0.347  -0.495  1.00  0.00           S  
HETATM   12  O   UNL     1       6.049  -0.243  -1.905  1.00  0.00           O  
HETATM   13  N   UNL     1       6.899   0.810   0.159  1.00  0.00           N  
HETATM   14  C   UNL     1       3.547   0.922  -1.002  1.00  0.00           C  
HETATM   15  C   UNL     1       2.247   1.287  -0.718  1.00  0.00           C  
HETATM   16  C   UNL     1       3.656  -0.329   1.044  1.00  0.00           C  
HETATM   17  C   UNL     1       2.357   0.029   1.340  1.00  0.00           C  
HETATM   18  C   UNL     1       0.251   1.233   0.772  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.092   2.394   0.666  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.636   0.302   1.175  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.194  -2.097   0.820  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.989  -0.831  -0.202  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.215  -1.223  -0.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.424  -0.687   0.244  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.810   1.419  -0.716  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.598   0.884  -1.113  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.036   1.745   1.722  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.445   0.076   2.183  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.803   1.005   0.223  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.296   1.029  -0.721  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.102  -2.086  -1.468  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.642  -0.518  -2.175  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.667   1.053   0.278  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.043  -0.934  -0.970  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.001  -2.426  -1.135  1.00  0.00           H  
HETATM   36  H   UNL     1       0.776  -1.220   0.846  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.025  -1.269   2.431  1.00  0.00           H  
HETATM   38  H   UNL     1       6.516   1.561   0.639  1.00  0.00           H  
HETATM   39  H   UNL     1       7.861   0.736   0.063  1.00  0.00           H  
HETATM   40  H   UNL     1       4.017   1.266  -1.911  1.00  0.00           H  
HETATM   41  H   UNL     1       1.700   1.915  -1.404  1.00  0.00           H  
HETATM   42  H   UNL     1       4.210  -0.958   1.725  1.00  0.00           H  
HETATM   43  H   UNL     1       1.894  -0.319   2.251  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.997  -2.229   1.545  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.700  -3.053   0.647  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.984  -2.255   0.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.137  -1.300   0.775  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.045   2.448  -0.940  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.883   1.499  -1.639  1.00  0.00           H  
CONECT    1   20    2   27   28                                       
CONECT    2   22    1   29   30                                       
CONECT    3   22    4   31   32                                       
CONECT    4   23   23   26    3                                       
CONECT    5   24   24   25   33                                       
CONECT    6   21   22   34   35                                       
CONECT    7   21   20   36   37                                       
CONECT    8   18   17   17   15                                       
CONECT    9   16   16   14   11                                       
CONECT   10   11   11                                                 
CONECT   11    9   13   12   12                                       
CONECT   11   10   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   38   39                                            
CONECT   14   15   15    9   40                                       
CONECT   15    8   14   14   41                                       
CONECT   16   17    9    9   42                                       
CONECT   17    8    8   16   43                                       
CONECT   18   20   19   19    8                                       
CONECT   19   18   18                                                 
CONECT   20    7   18    1                                            
CONECT   21    7    6   44   45                                       
CONECT   22    6    3    2                                            
CONECT   23   24    4    4   46                                       
CONECT   24    5    5   23   47                                       
CONECT   25    5   26   26   48                                       
CONECT   26   25   25    4   49                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
