COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.754   0.072   0.055  1.00  0.00           C  
HETATM    2  C   UNL     1       3.020  -0.501   0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       4.150   0.320   0.036  1.00  0.00           C  
HETATM    4  C   UNL     1       3.989   1.726   0.046  1.00  0.00           C  
HETATM    5  C   UNL     1       2.709   2.276   0.061  1.00  0.00           C  
HETATM    6  C   UNL     1       1.612   1.467   0.060  1.00  0.00           C  
HETATM    7  C   UNL     1       5.534   0.073   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1       6.176   1.284   0.023  1.00  0.00           C  
HETATM    9  N   UNL     1       5.246   2.288   0.038  1.00  0.00           N  
HETATM   10  C   UNL     1       6.295  -1.226   0.014  1.00  0.00           C  
HETATM   11  C   UNL     1       7.639  -1.016   0.712  1.00  0.00           C  
HETATM   12  N   UNL     1       8.314   0.198   0.270  1.00  0.00           N  
HETATM   13  C   UNL     1       7.649   1.346   0.007  1.00  0.00           C  
HETATM   14  O   UNL     1       8.240   2.383  -0.230  1.00  0.00           O  
HETATM   15  C   UNL     1       0.555  -0.790   0.060  1.00  0.00           C  
HETATM   16  O   UNL     1       0.677  -2.000   0.056  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.673  -0.236   0.069  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.800  -1.046   0.074  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.786  -2.806   0.069  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.496  -2.839   0.079  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.964  -1.575   0.085  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.025  -0.624   0.087  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.403  -1.264   0.094  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.816   0.019   0.099  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.220  -2.166   0.096  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.248   0.327   0.108  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.442   1.845   0.113  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.878   2.155   0.122  1.00  0.00           N  
HETATM   29  C   UNL     1      -9.107   3.585   0.365  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.517   1.725  -1.129  1.00  0.00           C  
HETATM   31  C   UNL     1       6.531  -1.672  -1.430  1.00  0.00           C  
HETATM   32  H   UNL     1       3.129  -1.576   0.032  1.00  0.00           H  
HETATM   33  H   UNL     1       2.586   3.348   0.069  1.00  0.00           H  
HETATM   34  H   UNL     1       0.625   1.905   0.067  1.00  0.00           H  
HETATM   35  H   UNL     1       5.439   3.238   0.041  1.00  0.00           H  
HETATM   36  H   UNL     1       5.722  -1.988   0.543  1.00  0.00           H  
HETATM   37  H   UNL     1       7.473  -0.955   1.788  1.00  0.00           H  
HETATM   38  H   UNL     1       8.282  -1.872   0.505  1.00  0.00           H  
HETATM   39  H   UNL     1       9.277   0.181   0.160  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.770   0.729   0.072  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.104  -3.732   0.080  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.165   0.738   0.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.716  -0.096  -0.781  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.707  -0.101   0.999  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.974   2.268   1.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.984   2.273  -0.779  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.628   4.169  -0.422  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.178   3.787   0.366  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.684   3.862   1.331  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.392   0.649  -1.250  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.580   1.966  -1.096  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.053   2.241  -1.970  1.00  0.00           H  
HETATM   53  H   UNL     1       7.108  -0.911  -1.955  1.00  0.00           H  
HETATM   54  H   UNL     1       7.081  -2.613  -1.434  1.00  0.00           H  
HETATM   55  H   UNL     1       5.572  -1.810  -1.929  1.00  0.00           H  
CONECT    1   15    6    6    2                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5   34                                       
CONECT    7    3   10    8    8                                       
CONECT    8    7    7    9   13                                       
CONECT    9    4    8   35                                            
CONECT   10    7   31   11   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   39                                            
CONECT   13    8   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    1   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   40                                            
CONECT   18   17   19   22   22                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   23   22                                       
CONECT   22   18   18   21                                            
CONECT   23   21   25   25   24                                       
CONECT   24   23   26   42                                            
CONECT   25   23   23                                                 
CONECT   26   24   27   43   44                                       
CONECT   27   26   28   45   46                                       
CONECT   28   27   30   29                                            
CONECT   29   28   47   48   49                                       
CONECT   30   28   50   51   52                                       
CONECT   31   10   53   54   55                                       
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
