COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.003  -0.099   0.112  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.763  -0.043  -0.667  1.00  0.00           C  
HETATM    3  C   UNL     1       0.182  -1.114  -0.186  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.148  -1.852   0.718  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.111   1.329  -0.489  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002   2.390  -1.082  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.863   2.747  -2.410  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.963   3.002  -0.299  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.681   3.720  -2.953  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.781   3.975  -0.842  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.638   4.335  -2.169  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.960   1.706   1.501  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.035   1.573   2.360  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.807   0.426   2.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.504  -0.587   1.439  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.429  -0.454   0.580  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.657   0.692   0.611  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.490   0.839  -0.331  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.151   0.371  -0.414  1.00  0.00           C  
HETATM   20  C   UNL     1       2.311  -2.294  -0.293  1.00  0.00           C  
HETATM   21  C   UNL     1       3.751  -1.885  -0.610  1.00  0.00           C  
HETATM   22  C   UNL     1       4.114  -0.634   0.193  1.00  0.00           C  
HETATM   23  C   UNL     1       1.988  -3.612  -0.999  1.00  0.00           C  
HETATM   24  C   UNL     1       0.615  -4.079  -0.589  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.493  -3.686  -1.316  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.753  -4.113  -0.940  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.905  -4.934   0.162  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.796  -5.326   0.889  1.00  0.00           C  
HETATM   29  C   UNL     1       0.464  -4.903   0.510  1.00  0.00           C  
HETATM   30  C   UNL     1       6.097   1.287   0.801  1.00  0.00           C  
HETATM   31  C   UNL     1       6.599   1.160   2.083  1.00  0.00           C  
HETATM   32  C   UNL     1       6.820   2.286   2.852  1.00  0.00           C  
HETATM   33  C   UNL     1       6.541   3.540   2.341  1.00  0.00           C  
HETATM   34  C   UNL     1       6.039   3.666   1.059  1.00  0.00           C  
HETATM   35  C   UNL     1       5.817   2.540   0.289  1.00  0.00           C  
HETATM   36  N   UNL     1       1.393  -1.252  -0.761  1.00  0.00           N  
HETATM   37  O   UNL     1      -4.291   0.314   0.299  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.157   0.846  -1.533  1.00  0.00           O  
HETATM   39  O   UNL     1       6.736  -1.107   0.330  1.00  0.00           O  
HETATM   40  O   UNL     1       5.923   0.319  -1.521  1.00  0.00           O  
HETATM   41  S   UNL     1       5.821  -0.149  -0.183  1.00  0.00           S  
HETATM   42  H   UNL     1      -1.998  -0.479   1.004  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.988  -0.204  -1.721  1.00  0.00           H  
HETATM   44  H   UNL     1       0.034   1.528   0.573  1.00  0.00           H  
HETATM   45  H   UNL     1       0.854   1.342  -0.995  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.115   2.266  -3.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.075   2.720   0.738  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.572   3.999  -3.991  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.532   4.453  -0.230  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.277   5.096  -2.594  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.359   2.603   1.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.271   2.364   3.056  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.646   0.322   3.001  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.107  -1.483   1.416  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.193  -1.246  -0.116  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.690   0.286  -1.248  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.344   1.894  -0.567  1.00  0.00           H  
HETATM   58  H   UNL     1       2.198  -2.421   0.784  1.00  0.00           H  
HETATM   59  H   UNL     1       4.426  -2.697  -0.343  1.00  0.00           H  
HETATM   60  H   UNL     1       3.841  -1.671  -1.675  1.00  0.00           H  
HETATM   61  H   UNL     1       3.438   0.178  -0.074  1.00  0.00           H  
HETATM   62  H   UNL     1       4.023  -0.847   1.258  1.00  0.00           H  
HETATM   63  H   UNL     1       2.014  -3.463  -2.078  1.00  0.00           H  
HETATM   64  H   UNL     1       2.726  -4.365  -0.718  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.375  -3.045  -2.177  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.619  -3.806  -1.508  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.889  -5.267   0.456  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.914  -5.967   1.750  1.00  0.00           H  
HETATM   69  H   UNL     1       1.330  -5.210   1.078  1.00  0.00           H  
HETATM   70  H   UNL     1       6.817   0.181   2.483  1.00  0.00           H  
HETATM   71  H   UNL     1       7.212   2.188   3.854  1.00  0.00           H  
HETATM   72  H   UNL     1       6.714   4.420   2.942  1.00  0.00           H  
HETATM   73  H   UNL     1       5.820   4.646   0.659  1.00  0.00           H  
HETATM   74  H   UNL     1       5.425   2.639  -0.713  1.00  0.00           H  
HETATM   75  H   UNL     1       1.657  -0.662  -1.484  1.00  0.00           H  
CONECT    1    2   19   42                                            
CONECT    2    3    1    5   43                                       
CONECT    3    4    4   36    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   44   45                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6    9    9   46                                       
CONECT    8    6    6   10   47                                       
CONECT    9    7    7   11   48                                       
CONECT   10    8   11   11   49                                       
CONECT   11   10   10    9   50                                       
CONECT   12   13   13   17   51                                       
CONECT   13   12   12   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   17   17   15   55                                       
CONECT   17   12   18   16   16                                       
CONECT   18   17   37   56   57                                       
CONECT   19    1   38   38   37                                       
CONECT   20   21   23   36   58                                       
CONECT   21   22   20   59   60                                       
CONECT   22   41   21   61   62                                       
CONECT   23   24   20   63   64                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   65                                       
CONECT   26   27   27   25   66                                       
CONECT   27   28   26   26   67                                       
CONECT   28   29   29   27   68                                       
CONECT   29   28   28   24   69                                       
CONECT   30   41   35   31   31                                       
CONECT   31   30   30   32   70                                       
CONECT   32   33   33   31   71                                       
CONECT   33   34   32   32   72                                       
CONECT   34   35   35   33   73                                       
CONECT   35   34   34   30   74                                       
CONECT   36   20    3   75                                            
CONECT   37   19   18                                                 
CONECT   38   19   19                                                 
CONECT   39   41   41                                                 
CONECT   40   41   41                                                 
CONECT   41   39   39   40   40                                       
CONECT   41   30   22                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
