COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.113   1.866  -0.877  1.00  0.00           C  
HETATM    2  C   UNL     1       7.350   0.933   0.064  1.00  0.00           C  
HETATM    3  C   UNL     1       8.095  -0.398   0.178  1.00  0.00           C  
HETATM    4  C   UNL     1       7.244   1.579   1.447  1.00  0.00           C  
HETATM    5  C   UNL     1       5.967   0.689  -0.483  1.00  0.00           C  
HETATM    6  O   UNL     1       5.625   1.210  -1.523  1.00  0.00           O  
HETATM    7  N   UNL     1       5.109  -0.109   0.185  1.00  0.00           N  
HETATM    8  C   UNL     1       3.765  -0.346  -0.347  1.00  0.00           C  
HETATM    9  C   UNL     1       3.001  -1.279   0.595  1.00  0.00           C  
HETATM   10  C   UNL     1       1.597  -1.527   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       0.876  -2.557   0.913  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.548  -2.756   0.389  1.00  0.00           C  
HETATM   13  C   UNL     1       0.805  -0.217   0.049  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.617  -0.483  -0.450  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.265  -1.474   0.419  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.595  -1.642   0.074  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.067  -2.844  -0.227  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.337  -3.009  -0.556  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.189  -2.018  -0.604  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.807  -0.751  -0.314  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.560   0.429  -0.308  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.472  -0.539   0.044  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.213   1.166   0.381  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.891   1.540   0.026  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.483   2.887   0.096  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.661   3.047  -0.161  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.719   3.941   0.444  1.00  0.00           N  
HETATM   28  H   UNL     1       8.188   1.406  -1.863  1.00  0.00           H  
HETATM   29  H   UNL     1       7.582   2.814  -0.959  1.00  0.00           H  
HETATM   30  H   UNL     1       9.113   2.043  -0.482  1.00  0.00           H  
HETATM   31  H   UNL     1       9.095  -0.222   0.574  1.00  0.00           H  
HETATM   32  H   UNL     1       7.551  -1.063   0.850  1.00  0.00           H  
HETATM   33  H   UNL     1       8.170  -0.858  -0.807  1.00  0.00           H  
HETATM   34  H   UNL     1       6.713   2.527   1.366  1.00  0.00           H  
HETATM   35  H   UNL     1       6.700   0.914   2.118  1.00  0.00           H  
HETATM   36  H   UNL     1       8.244   1.755   1.843  1.00  0.00           H  
HETATM   37  H   UNL     1       5.382  -0.525   1.017  1.00  0.00           H  
HETATM   38  H   UNL     1       3.234   0.602  -0.428  1.00  0.00           H  
HETATM   39  H   UNL     1       3.840  -0.806  -1.332  1.00  0.00           H  
HETATM   40  H   UNL     1       3.533  -2.227   0.676  1.00  0.00           H  
HETATM   41  H   UNL     1       2.926  -0.819   1.580  1.00  0.00           H  
HETATM   42  H   UNL     1       1.670  -1.903  -0.981  1.00  0.00           H  
HETATM   43  H   UNL     1       1.413  -3.505   0.876  1.00  0.00           H  
HETATM   44  H   UNL     1       0.839  -2.199   1.942  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.510  -3.127  -0.635  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.069  -3.478   1.017  1.00  0.00           H  
HETATM   47  H   UNL     1       0.766   0.177   1.064  1.00  0.00           H  
HETATM   48  H   UNL     1       1.290   0.507  -0.605  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.189   0.445  -0.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.579  -0.865  -1.471  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.685  -4.003  -0.796  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.611   0.442  -0.557  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.779   3.813   0.649  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.109   4.828   0.490  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   31   32   33                                       
CONECT    4    2   34   35   36                                       
CONECT    5    2    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   37                                            
CONECT    8    7    9   38   39                                       
CONECT    9    8   10   40   41                                       
CONECT   10    9   11   13   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   15   45   46                                       
CONECT   13   10   14   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   12   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   51                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   24   24   52                                       
CONECT   22   16   20   20   23                                       
CONECT   23   22   24                                                 
CONECT   24   21   21   23   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   53   54                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
