COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.652   2.001   0.053  1.00  0.00           N  
HETATM    2  N   UNL     1       8.793   1.506   0.263  1.00  0.00           N  
HETATM    3  C   UNL     1       0.922   3.134   3.616  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.241   1.340  -0.719  1.00  0.00           C  
HETATM    5  C   UNL     1       1.914   2.465  -0.530  1.00  0.00           C  
HETATM    6  C   UNL     1       2.916   1.339  -0.520  1.00  0.00           C  
HETATM    7  C   UNL     1       3.823   1.234   0.519  1.00  0.00           C  
HETATM    8  C   UNL     1       4.756  -0.729  -0.500  1.00  0.00           C  
HETATM    9  C   UNL     1       7.565  -0.173  -0.075  1.00  0.00           C  
HETATM   10  C   UNL     1       7.586  -3.912  -0.470  1.00  0.00           C  
HETATM   11  C   UNL     1       5.321  -3.150  -0.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.859   0.798   1.919  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.816   0.125   1.214  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.635  -0.171  -0.137  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.710  -0.203  -1.299  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.879   2.019  -1.495  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.522   3.675  -0.684  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.607  -0.815  -1.849  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.805   1.251  -1.140  1.00  0.00           C  
HETATM   20  S   UNL     1      -4.557   2.287  -0.461  1.00  0.00           S  
HETATM   21  C   UNL     1      -6.700   3.357  -1.233  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.630  -0.862  -0.836  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.497  -2.303  -1.066  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.131  -3.054   0.076  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.468  -3.402   0.017  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.050  -4.090   1.065  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.296  -4.431   2.172  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.959  -4.083   2.231  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.376  -3.400   1.181  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.681   1.200   1.285  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.477   0.216  -0.790  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.493   0.903  -0.083  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.017   1.116  -1.895  1.00  0.00           O  
HETATM   34  C   UNL     1       0.387   2.244   1.364  1.00  0.00           C  
HETATM   35  C   UNL     1       1.418   2.984   2.177  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.708   1.870   1.952  1.00  0.00           N  
HETATM   37  C   UNL     1       2.921   0.412  -1.546  1.00  0.00           C  
HETATM   38  C   UNL     1       3.836  -0.621  -1.542  1.00  0.00           C  
HETATM   39  C   UNL     1       4.744   0.206   0.534  1.00  0.00           C  
HETATM   40  C   UNL     1       5.742  -1.836  -0.490  1.00  0.00           C  
HETATM   41  C   UNL     1       6.242  -4.178  -0.668  1.00  0.00           C  
HETATM   42  C   UNL     1       8.019  -2.615  -0.276  1.00  0.00           C  
HETATM   43  C   UNL     1       7.104  -1.567  -0.284  1.00  0.00           C  
HETATM   44  N   UNL     1       6.803   0.930  -0.066  1.00  0.00           N  
HETATM   45  N   UNL     1       7.585   1.934   0.146  1.00  0.00           N  
HETATM   46  N   UNL     1       8.806   0.224   0.128  1.00  0.00           N  
HETATM   47  H   UNL     1       9.572   2.061   0.423  1.00  0.00           H  
HETATM   48  H   UNL     1       1.667   3.669   4.204  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.015   3.691   3.622  1.00  0.00           H  
HETATM   50  H   UNL     1       0.759   2.146   4.049  1.00  0.00           H  
HETATM   51  H   UNL     1       1.742   2.789  -1.556  1.00  0.00           H  
HETATM   52  H   UNL     1       2.299   3.300   0.055  1.00  0.00           H  
HETATM   53  H   UNL     1       3.812   1.959   1.320  1.00  0.00           H  
HETATM   54  H   UNL     1       8.298  -4.723  -0.464  1.00  0.00           H  
HETATM   55  H   UNL     1       4.274  -3.364  -0.833  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.013   1.020   2.964  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.724  -0.184   1.710  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.776   1.615  -1.940  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.223   4.678  -0.417  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.454   4.097  -1.459  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.996  -2.570  -1.997  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.441  -2.565  -1.131  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.058  -3.136  -0.848  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.094  -4.362   1.019  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.750  -4.969   2.991  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.368  -4.353   3.094  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.331  -3.128   1.227  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.337  -0.014  -1.836  1.00  0.00           H  
HETATM   69  H   UNL     1       1.581   3.972   1.744  1.00  0.00           H  
HETATM   70  H   UNL     1       2.355   2.427   2.171  1.00  0.00           H  
HETATM   71  H   UNL     1       2.207   0.496  -2.352  1.00  0.00           H  
HETATM   72  H   UNL     1       3.842  -1.342  -2.346  1.00  0.00           H  
HETATM   73  H   UNL     1       5.451   0.125   1.345  1.00  0.00           H  
HETATM   74  H   UNL     1       5.912  -5.196  -0.815  1.00  0.00           H  
HETATM   75  H   UNL     1       9.069  -2.415  -0.117  1.00  0.00           H  
CONECT    1    5    4   34                                            
CONECT    2   45   46   47                                            
CONECT    3   35   48   49   50                                       
CONECT    4   33   33    1   32                                       
CONECT    5    1    6   51   52                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6   39   53                                       
CONECT    8   39   39   38   40                                       
CONECT    9   44   43   46   46                                       
CONECT   10   41   41   42   54                                       
CONECT   11   40   40   41   55                                       
CONECT   12   30   30   13   56                                       
CONECT   13   14   14   12   57                                       
CONECT   14   31   22   13   13                                       
CONECT   15   22   18   18   19                                       
CONECT   16   19   19   21   58                                       
CONECT   17   20   21   21   59                                       
CONECT   18   15   15                                                 
CONECT   19   15   16   16   20                                       
CONECT   20   19   17                                                 
CONECT   21   16   17   17   60                                       
CONECT   22   23   14   15                                            
CONECT   23   24   22   61   62                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   63                                       
CONECT   26   27   27   25   64                                       
CONECT   27   28   26   26   65                                       
CONECT   28   29   29   27   66                                       
CONECT   29   28   28   24   67                                       
CONECT   30   32   36   12   12                                       
CONECT   31   32   32   14   68                                       
CONECT   32    4   31   31   30                                       
CONECT   33    4    4                                                 
CONECT   34    1   35   36   36                                       
CONECT   35    3   34   69   70                                       
CONECT   36   34   34   30                                            
CONECT   37    6   38   38   71                                       
CONECT   38   37   37    8   72                                       
CONECT   39    7    8    8   73                                       
CONECT   40    8   11   11   43                                       
CONECT   41   11   10   10   74                                       
CONECT   42   43   43   10   75                                       
CONECT   43   40    9   42   42                                       
CONECT   44   45   45    9                                            
CONECT   45   44   44    2                                            
CONECT   46    9    9    2                                            
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
