COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.003  -1.495  -0.273  1.00  0.00           C  
HETATM    2  C   UNL     1       6.528  -1.502   0.133  1.00  0.00           C  
HETATM    3  C   UNL     1       5.791  -2.596  -0.643  1.00  0.00           C  
HETATM    4  C   UNL     1       6.414  -1.777   1.634  1.00  0.00           C  
HETATM    5  C   UNL     1       5.904  -0.142  -0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       4.451  -0.150   0.215  1.00  0.00           C  
HETATM    7  O   UNL     1       3.963  -1.145   0.707  1.00  0.00           O  
HETATM    8  N   UNL     1       3.695   0.950   0.027  1.00  0.00           N  
HETATM    9  C   UNL     1       4.157   2.221  -0.557  1.00  0.00           C  
HETATM   10  C   UNL     1       3.182   3.290  -0.003  1.00  0.00           C  
HETATM   11  O   UNL     1       3.551   3.684   1.320  1.00  0.00           O  
HETATM   12  C   UNL     1       1.839   2.514   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1       2.270   1.077   0.365  1.00  0.00           C  
HETATM   14  C   UNL     1       1.458   0.083  -0.425  1.00  0.00           C  
HETATM   15  O   UNL     1       2.009  -0.675  -1.195  1.00  0.00           O  
HETATM   16  N   UNL     1       0.119   0.037  -0.277  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.670  -0.929  -1.045  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.129  -0.775  -0.698  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.921   0.099  -1.421  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.257   0.244  -1.108  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.671  -1.514   0.339  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.006  -1.378   0.662  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.809  -0.494  -0.059  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.240  -0.343   0.282  1.00  0.00           C  
HETATM   25  S   UNL     1      -7.393   0.716  -0.525  1.00  0.00           S  
HETATM   26  C   UNL     1      -8.631   0.188   0.529  1.00  0.00           C  
HETATM   27  N   UNL     1      -8.169  -0.681   1.365  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.897  -0.998   1.263  1.00  0.00           C  
HETATM   29  H   UNL     1       8.084  -1.299  -1.342  1.00  0.00           H  
HETATM   30  H   UNL     1       8.528  -0.716   0.280  1.00  0.00           H  
HETATM   31  H   UNL     1       8.448  -2.464  -0.047  1.00  0.00           H  
HETATM   32  H   UNL     1       6.235  -3.565  -0.417  1.00  0.00           H  
HETATM   33  H   UNL     1       4.740  -2.601  -0.354  1.00  0.00           H  
HETATM   34  H   UNL     1       5.872  -2.400  -1.712  1.00  0.00           H  
HETATM   35  H   UNL     1       6.859  -2.747   1.860  1.00  0.00           H  
HETATM   36  H   UNL     1       6.939  -0.999   2.187  1.00  0.00           H  
HETATM   37  H   UNL     1       5.363  -1.783   1.923  1.00  0.00           H  
HETATM   38  H   UNL     1       6.429   0.637   0.368  1.00  0.00           H  
HETATM   39  H   UNL     1       5.985   0.054  -1.254  1.00  0.00           H  
HETATM   40  H   UNL     1       5.177   2.437  -0.238  1.00  0.00           H  
HETATM   41  H   UNL     1       4.102   2.182  -1.645  1.00  0.00           H  
HETATM   42  H   UNL     1       3.132   4.154  -0.666  1.00  0.00           H  
HETATM   43  H   UNL     1       4.429   4.086   1.381  1.00  0.00           H  
HETATM   44  H   UNL     1       1.160   2.915   0.754  1.00  0.00           H  
HETATM   45  H   UNL     1       1.381   2.541  -0.987  1.00  0.00           H  
HETATM   46  H   UNL     1       2.130   0.907   1.433  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.322   0.643   0.339  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.530  -0.747  -2.111  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.344  -1.940  -0.802  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.492   0.669  -2.231  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.874   0.927  -1.672  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.049  -2.197   0.897  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.428  -1.955   1.472  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.654   0.532   0.500  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.417  -1.713   1.914  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    4    5    3    1                                       
CONECT    3    2   32   33   34                                       
CONECT    4    2   35   36   37                                       
CONECT    5    6    2   38   39                                       
CONECT    6    8    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8   13    9    6                                            
CONECT    9   10    8   40   41                                       
CONECT   10   12   11    9   42                                       
CONECT   11   10   43                                                 
CONECT   12   13   10   44   45                                       
CONECT   13   12   14    8   46                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   47                                            
CONECT   17   18   16   48   49                                       
CONECT   18   19   19   21   17                                       
CONECT   19   20   18   18   50                                       
CONECT   20   23   23   19   51                                       
CONECT   21   22   22   18   52                                       
CONECT   22   23   21   21   53                                       
CONECT   23   24   20   20   22                                       
CONECT   24   28   28   25   23                                       
CONECT   25   26   24                                                 
CONECT   26   27   27   25   54                                       
CONECT   27   26   26   28                                            
CONECT   28   27   24   24   55                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
