COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.347   2.470   0.121  1.00  0.00           N  
HETATM    2  C   UNL     1       1.072   1.124  -0.041  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.176   0.707  -0.188  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.454  -0.582  -0.345  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.134  -1.077  -0.535  1.00  0.00           S  
HETATM    6  C   UNL     1      -2.950   0.536  -0.435  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.462   0.352  -0.579  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.142   1.724  -0.620  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.658   1.530  -0.703  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.129   0.702   0.495  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.451  -0.600   0.488  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.979  -1.474   1.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.996  -0.442   0.615  1.00  0.00           C  
HETATM   14  N   UNL     1       0.491  -1.504  -0.363  1.00  0.00           N  
HETATM   15  C   UNL     1       1.782  -1.170  -0.221  1.00  0.00           C  
HETATM   16  C   UNL     1       2.124   0.170  -0.059  1.00  0.00           C  
HETATM   17  C   UNL     1       3.562   0.370   0.083  1.00  0.00           C  
HETATM   18  C   UNL     1       4.271  -0.757   0.033  1.00  0.00           C  
HETATM   19  C   UNL     1       5.784  -0.824   0.153  1.00  0.00           C  
HETATM   20  C   UNL     1       6.359   0.579  -0.058  1.00  0.00           C  
HETATM   21  C   UNL     1       7.844   0.584   0.307  1.00  0.00           C  
HETATM   22  C   UNL     1       5.606   1.565   0.840  1.00  0.00           C  
HETATM   23  C   UNL     1       4.187   1.747   0.273  1.00  0.00           C  
HETATM   24  S   UNL     1       3.235  -2.154  -0.212  1.00  0.00           S  
HETATM   25  H   UNL     1       0.624   3.098   0.275  1.00  0.00           H  
HETATM   26  H   UNL     1       2.264   2.785   0.085  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.730   0.995   0.529  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.584   1.178  -1.236  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.677  -0.188  -1.501  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.895   2.279   0.285  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.796   2.276  -1.493  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.150   2.503  -0.689  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.908   1.009  -1.627  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.891   1.231   1.418  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.207   0.551   0.430  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.058  -1.578   1.423  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.510  -2.455   1.472  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.763  -1.038   2.519  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.525  -1.424   0.639  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.768   0.093   1.538  1.00  0.00           H  
HETATM   41  H   UNL     1       6.055  -1.184   1.145  1.00  0.00           H  
HETATM   42  H   UNL     1       6.181  -1.501  -0.603  1.00  0.00           H  
HETATM   43  H   UNL     1       6.237   0.869  -1.102  1.00  0.00           H  
HETATM   44  H   UNL     1       8.377  -0.126  -0.327  1.00  0.00           H  
HETATM   45  H   UNL     1       8.252   1.583   0.155  1.00  0.00           H  
HETATM   46  H   UNL     1       7.963   0.297   1.352  1.00  0.00           H  
HETATM   47  H   UNL     1       5.568   1.176   1.857  1.00  0.00           H  
HETATM   48  H   UNL     1       6.120   2.526   0.836  1.00  0.00           H  
HETATM   49  H   UNL     1       4.220   2.268  -0.683  1.00  0.00           H  
HETATM   50  H   UNL     1       3.594   2.322   0.984  1.00  0.00           H  
CONECT    1    2   25   26                                            
CONECT    2   16    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4   14   14    3    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   27   28                                       
CONECT    7    6   13    8   29                                       
CONECT    8    7    9   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10   11    9   34   35                                       
CONECT   11   13   12   10                                            
CONECT   12   11   36   37   38                                       
CONECT   13    7   11   39   40                                       
CONECT   14   15    4    4                                            
CONECT   15   24   16   16   14                                       
CONECT   16   17   15   15    2                                       
CONECT   17   18   18   23   16                                       
CONECT   18   19   24   17   17                                       
CONECT   19   20   18   41   42                                       
CONECT   20   21   19   22   43                                       
CONECT   21   20   44   45   46                                       
CONECT   22   20   23   47   48                                       
CONECT   23   22   17   49   50                                       
CONECT   24   18   15                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
