COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.300  -0.006  -0.905  1.00  0.00           C  
HETATM    2  S   UNL     1      -8.399   1.007   0.300  1.00  0.00           S  
HETATM    3  O   UNL     1      -8.357   2.364  -0.122  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.779   0.663   1.625  1.00  0.00           O  
HETATM    5  N   UNL     1      -6.829   0.493   0.179  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.083   0.704  -1.064  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.590   0.493  -0.804  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.356  -0.872  -0.449  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.071  -1.229  -0.184  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.061  -0.289  -0.264  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.773  -2.543   0.174  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.768  -3.465   0.256  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.392  -4.793   0.628  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.464  -2.910   0.445  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.451  -1.977   0.362  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.743  -0.659   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1       0.340   0.343  -0.074  1.00  0.00           C  
HETATM   18  N   UNL     1       1.602   0.112   0.153  1.00  0.00           N  
HETATM   19  S   UNL     1       0.134   2.039  -0.504  1.00  0.00           S  
HETATM   20  C   UNL     1       1.868   2.292  -0.319  1.00  0.00           C  
HETATM   21  C   UNL     1       2.597   3.595  -0.523  1.00  0.00           C  
HETATM   22  C   UNL     1       2.426   1.129   0.030  1.00  0.00           C  
HETATM   23  C   UNL     1       3.908   0.990   0.267  1.00  0.00           C  
HETATM   24  C   UNL     1       4.177   0.893   1.770  1.00  0.00           C  
HETATM   25  S   UNL     1       4.512  -0.506  -0.553  1.00  0.00           S  
HETATM   26  C   UNL     1       6.241  -0.342  -0.252  1.00  0.00           C  
HETATM   27  N   UNL     1       7.067  -1.272  -0.709  1.00  0.00           N  
HETATM   28  N   UNL     1       6.682   0.712   0.420  1.00  0.00           N  
HETATM   29  C   UNL     1       7.981   0.869   0.665  1.00  0.00           C  
HETATM   30  N   UNL     1       8.434   1.973   1.369  1.00  0.00           N  
HETATM   31  C   UNL     1       8.878  -0.091   0.206  1.00  0.00           C  
HETATM   32  C   UNL     1       8.378  -1.181  -0.502  1.00  0.00           C  
HETATM   33  N   UNL     1       9.235  -2.158  -0.983  1.00  0.00           N  
HETATM   34  H   UNL     1      -8.892   0.164  -1.901  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.196  -1.059  -0.644  1.00  0.00           H  
HETATM   36  H   UNL     1     -10.355   0.268  -0.893  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.404   0.053   0.932  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.424  -0.006  -1.817  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.249   1.720  -1.420  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.026   0.736  -1.705  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.268   1.140   0.012  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.291   0.730  -0.537  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.278  -5.427   0.657  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.685  -5.188  -0.101  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.925  -4.776   1.613  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.237  -3.929   0.722  1.00  0.00           H  
HETATM   47  H   UNL     1       0.568  -2.266   0.574  1.00  0.00           H  
HETATM   48  H   UNL     1       1.885   4.369  -0.807  1.00  0.00           H  
HETATM   49  H   UNL     1       3.095   3.882   0.403  1.00  0.00           H  
HETATM   50  H   UNL     1       3.339   3.476  -1.313  1.00  0.00           H  
HETATM   51  H   UNL     1       4.423   1.861  -0.140  1.00  0.00           H  
HETATM   52  H   UNL     1       3.813   1.794   2.263  1.00  0.00           H  
HETATM   53  H   UNL     1       3.662   0.023   2.176  1.00  0.00           H  
HETATM   54  H   UNL     1       5.249   0.794   1.941  1.00  0.00           H  
HETATM   55  H   UNL     1       7.803   2.638   1.687  1.00  0.00           H  
HETATM   56  H   UNL     1       9.382   2.082   1.545  1.00  0.00           H  
HETATM   57  H   UNL     1       9.937   0.009   0.390  1.00  0.00           H  
HETATM   58  H   UNL     1       8.880  -2.915  -1.475  1.00  0.00           H  
HETATM   59  H   UNL     1      10.190  -2.086  -0.828  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    4    4    3                                       
CONECT    2    3    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   37                                            
CONECT    6    5    7   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   16   42                                       
CONECT   11    9   12   14   14                                       
CONECT   12   13   11                                                 
CONECT   13   12   43   44   45                                       
CONECT   14   11   11   15   46                                       
CONECT   15   16   16   14   47                                       
CONECT   16   10   17   15   15                                       
CONECT   17   18   18   16   19                                       
CONECT   18   22   17   17                                            
CONECT   19   17   20                                                 
CONECT   20   22   22   19   21                                       
CONECT   21   20   48   49   50                                       
CONECT   22   18   23   20   20                                       
CONECT   23   24   25   22   51                                       
CONECT   24   23   52   53   54                                       
CONECT   25   23   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   32                                            
CONECT   28   26   29   29                                            
CONECT   29   28   28   31   30                                       
CONECT   30   29   55   56                                            
CONECT   31   32   32   29   57                                       
CONECT   32   27   33   31   31                                       
CONECT   33   32   58   59                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
