COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.025  -1.820   0.276  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.821  -1.773  -1.080  1.00  0.00           S  
HETATM    3  C   UNL     1      -4.404  -3.250   0.562  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.472  -3.828  -0.097  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.820  -5.139   0.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.099  -5.874   1.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.030  -5.296   1.749  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.682  -3.984   1.485  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.550  -2.224  -0.634  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.399  -2.276  -2.277  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.600  -0.160  -1.381  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.026   0.706  -0.347  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.691   2.083  -0.409  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.177   1.947  -0.069  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.864   3.304  -0.236  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.286   3.175   0.089  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.112   4.271   0.010  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.447   4.150   0.315  1.00  0.00           N  
HETATM   19  N   UNL     1      -6.629   5.426  -0.354  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.545   0.853  -0.580  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.020   0.289  -1.517  1.00  0.00           O  
HETATM   22  N   UNL     1       0.197   1.609   0.252  1.00  0.00           N  
HETATM   23  C   UNL     1       1.645   1.837   0.142  1.00  0.00           C  
HETATM   24  C   UNL     1       2.378   0.523   0.223  1.00  0.00           C  
HETATM   25  O   UNL     1       1.758  -0.510   0.359  1.00  0.00           O  
HETATM   26  C   UNL     1       2.057   2.742   1.323  1.00  0.00           C  
HETATM   27  C   UNL     1       0.919   2.510   2.352  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.311   2.351   1.421  1.00  0.00           C  
HETATM   29  N   UNL     1       3.723   0.496   0.144  1.00  0.00           N  
HETATM   30  C   UNL     1       4.436  -0.781   0.222  1.00  0.00           C  
HETATM   31  C   UNL     1       5.919  -0.537   0.108  1.00  0.00           C  
HETATM   32  C   UNL     1       6.525  -0.544  -1.135  1.00  0.00           C  
HETATM   33  C   UNL     1       7.881  -0.316  -1.246  1.00  0.00           C  
HETATM   34  C   UNL     1       8.643  -0.087  -0.101  1.00  0.00           C  
HETATM   35  C   UNL     1      10.100   0.154  -0.212  1.00  0.00           C  
HETATM   36  N   UNL     1      10.809   0.367   0.859  1.00  0.00           N  
HETATM   37  N   UNL     1      10.705   0.152  -1.450  1.00  0.00           N  
HETATM   38  C   UNL     1       8.027  -0.087   1.151  1.00  0.00           C  
HETATM   39  C   UNL     1       6.669  -0.312   1.248  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.915  -1.259  -0.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.585  -1.375   1.168  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.036  -3.254  -0.818  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.656  -5.591  -0.348  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.368  -6.900   1.292  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.466  -5.870   2.470  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.848  -3.533   2.001  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.850   0.212  -2.241  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.198   0.263   0.634  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.213   2.749   0.310  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.584   2.494  -1.413  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.638   1.222  -0.739  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.285   1.610   0.962  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.403   4.030   0.433  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.756   3.642  -1.267  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.646   2.316   0.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.806   3.290   0.586  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.030   4.923   0.259  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.212   6.199  -0.410  1.00  0.00           H  
HETATM   59  H   UNL     1       1.872   2.333  -0.801  1.00  0.00           H  
HETATM   60  H   UNL     1       3.017   2.428   1.732  1.00  0.00           H  
HETATM   61  H   UNL     1       2.092   3.787   1.015  1.00  0.00           H  
HETATM   62  H   UNL     1       1.095   1.604   2.932  1.00  0.00           H  
HETATM   63  H   UNL     1       0.803   3.374   3.006  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.688   3.327   1.116  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.094   1.781   1.922  1.00  0.00           H  
HETATM   66  H   UNL     1       4.220   1.323   0.035  1.00  0.00           H  
HETATM   67  H   UNL     1       4.219  -1.260   1.176  1.00  0.00           H  
HETATM   68  H   UNL     1       4.111  -1.429  -0.592  1.00  0.00           H  
HETATM   69  H   UNL     1       5.935  -0.725  -2.021  1.00  0.00           H  
HETATM   70  H   UNL     1       8.353  -0.317  -2.218  1.00  0.00           H  
HETATM   71  H   UNL     1      11.763   0.525   0.786  1.00  0.00           H  
HETATM   72  H   UNL     1      10.177  -0.007  -2.248  1.00  0.00           H  
HETATM   73  H   UNL     1      11.660   0.310  -1.523  1.00  0.00           H  
HETATM   74  H   UNL     1       8.612   0.090   2.041  1.00  0.00           H  
HETATM   75  H   UNL     1       6.191  -0.311   2.217  1.00  0.00           H  
CONECT    1    3    2   40   41                                       
CONECT    2    1   11    9    9                                       
CONECT    2   10   10                                                 
CONECT    3    8    8    4    1                                       
CONECT    4    3    5    5   42                                       
CONECT    5    6    4    4   43                                       
CONECT    6    7    7    5   44                                       
CONECT    7    6    6    8   45                                       
CONECT    8    7    3    3   46                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11    2   12   47                                            
CONECT   12   11   20   13   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55                                            
CONECT   17   16   19   19   18                                       
CONECT   18   17   56   57                                            
CONECT   19   17   17   58                                            
CONECT   20   12   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   28                                            
CONECT   23   22   26   24   59                                       
CONECT   24   23   29   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   60   61                                       
CONECT   27   26   28   62   63                                       
CONECT   28   22   27   64   65                                       
CONECT   29   24   30   66                                            
CONECT   30   29   31   67   68                                       
CONECT   31   30   39   39   32                                       
CONECT   32   31   33   33   69                                       
CONECT   33   34   32   32   70                                       
CONECT   34   38   38   33   35                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35   71                                            
CONECT   37   35   72   73                                            
CONECT   38   39   34   34   74                                       
CONECT   39   31   31   38   75                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
