COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.901  -1.167  -1.343  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.353  -1.619  -1.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.115  -0.592  -0.334  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.494  -0.488   0.989  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.464  -1.644   1.888  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.643  -2.767   1.249  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.395  -3.229  -0.337  1.00  0.00           S  
HETATM    8  S   UNL     1      -1.822   0.946   1.472  1.00  0.00           S  
HETATM    9  O   UNL     1      -1.741   0.877   2.889  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.498   1.956   0.735  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.157   0.968   0.897  1.00  0.00           C  
HETATM   12  C   UNL     1       0.770   0.094   1.435  1.00  0.00           C  
HETATM   13  C   UNL     1       2.075   0.105   0.982  1.00  0.00           C  
HETATM   14  C   UNL     1       2.458   1.001  -0.005  1.00  0.00           C  
HETATM   15  C   UNL     1       1.528   1.881  -0.539  1.00  0.00           C  
HETATM   16  C   UNL     1       0.223   1.862  -0.087  1.00  0.00           C  
HETATM   17  O   UNL     1       3.743   1.017  -0.449  1.00  0.00           O  
HETATM   18  C   UNL     1       4.445   0.011   0.283  1.00  0.00           C  
HETATM   19  C   UNL     1       5.851  -0.022  -0.153  1.00  0.00           C  
HETATM   20  C   UNL     1       6.972  -0.049  -0.501  1.00  0.00           C  
HETATM   21  C   UNL     1       8.377  -0.082  -0.937  1.00  0.00           C  
HETATM   22  N   UNL     1       9.099  -1.116  -0.185  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.070   0.751  -1.016  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.013   1.193  -1.415  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.204   1.460  -1.183  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.161   2.722  -1.824  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.012  -1.742  -2.551  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.868  -0.274  -1.967  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.476  -0.943  -0.365  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.326  -1.963  -1.817  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.152  -0.909  -0.224  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.482  -1.993   2.064  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.010  -1.356   2.836  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.632  -3.633   1.912  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.623  -2.423   1.082  1.00  0.00           H  
HETATM   36  H   UNL     1       0.472  -0.603   2.204  1.00  0.00           H  
HETATM   37  H   UNL     1       2.798  -0.581   1.399  1.00  0.00           H  
HETATM   38  H   UNL     1       1.823   2.579  -1.308  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.502   2.547  -0.502  1.00  0.00           H  
HETATM   40  H   UNL     1       4.400   0.238   1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       3.985  -0.960   0.099  1.00  0.00           H  
HETATM   42  H   UNL     1       8.422  -0.309  -2.002  1.00  0.00           H  
HETATM   43  H   UNL     1       8.837   0.889  -0.753  1.00  0.00           H  
HETATM   44  H   UNL     1      10.052  -1.103  -0.515  1.00  0.00           H  
HETATM   45  H   UNL     1       9.121  -0.813   0.777  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.049   1.106  -0.864  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.068   3.057  -1.841  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.471  -2.475  -3.149  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.047  -2.064  -2.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.989  -0.775  -3.053  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    7   27                                       
CONECT    3    2    4   23   31                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    2    6                                                 
CONECT    8    4    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   16   16                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   16   38                                       
CONECT   16   11   11   15   39                                       
CONECT   17   14   18                                                 
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   20   20                                       
CONECT   20   19   19   19   21                                       
CONECT   21   20   22   42   43                                       
CONECT   22   21   44   45                                            
CONECT   23    3   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   46                                            
CONECT   26   25   47                                                 
CONECT   27    2   48   49   50                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
