COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.826   2.231   0.309  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.428   1.918  -0.466  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.453   1.004  -1.262  1.00  0.00           O  
HETATM    4  O   UNL     1       1.629  -0.069   0.259  1.00  0.00           O  
HETATM    5  C   UNL     1       1.950   1.292  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1       3.241   1.711   0.521  1.00  0.00           C  
HETATM    7  C   UNL     1       4.283   2.009  -0.216  1.00  0.00           C  
HETATM    8  C   UNL     1       5.604   2.322   0.438  1.00  0.00           C  
HETATM    9  C   UNL     1       6.686   1.401  -0.132  1.00  0.00           C  
HETATM   10  S   UNL     1       8.276   1.778   0.655  1.00  0.00           S  
HETATM   11  C   UNL     1       9.411   0.605  -0.137  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.539   2.689  -0.250  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.724   2.301  -1.057  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.716   3.465  -1.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.031   3.931   0.313  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.102   4.622  -1.901  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.375   1.109  -0.404  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.054   0.771   0.716  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.738   0.505   2.926  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.329   0.415  -1.087  1.00  0.00           N  
HETATM   21  S   UNL     1      -6.479   0.420   1.133  1.00  0.00           S  
HETATM   22  C   UNL     1      -5.068  -0.709   0.978  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.719  -0.889  -0.501  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.600  -2.797  -1.365  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.543  -1.827  -0.639  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.410  -1.550   0.080  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.294  -2.371  -0.240  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.414  -3.386  -1.099  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.471  -4.437  -0.879  1.00  0.00           C  
HETATM   30  C   UNL     1       0.001  -2.071   0.401  1.00  0.00           C  
HETATM   31  O   UNL     1       0.085  -1.185   1.230  1.00  0.00           O  
HETATM   32  N   UNL     1       1.101  -2.797   0.056  1.00  0.00           N  
HETATM   33  C   UNL     1       2.375  -2.383   0.682  1.00  0.00           C  
HETATM   34  C   UNL     1       2.645  -0.948   0.310  1.00  0.00           C  
HETATM   35  O   UNL     1       3.770  -0.589   0.057  1.00  0.00           O  
HETATM   36  C   UNL     1       3.512  -3.270   0.171  1.00  0.00           C  
HETATM   37  C   UNL     1       3.228  -4.727   0.542  1.00  0.00           C  
HETATM   38  C   UNL     1       3.616  -3.142  -1.350  1.00  0.00           C  
HETATM   39  H   UNL     1       1.121   3.263   0.121  1.00  0.00           H  
HETATM   40  H   UNL     1       0.638   2.095   1.374  1.00  0.00           H  
HETATM   41  H   UNL     1       2.060   1.341  -1.217  1.00  0.00           H  
HETATM   42  H   UNL     1       3.308   1.767   1.598  1.00  0.00           H  
HETATM   43  H   UNL     1       4.195   2.030  -1.292  1.00  0.00           H  
HETATM   44  H   UNL     1       5.870   3.360   0.241  1.00  0.00           H  
HETATM   45  H   UNL     1       5.523   2.165   1.514  1.00  0.00           H  
HETATM   46  H   UNL     1       6.420   0.363   0.065  1.00  0.00           H  
HETATM   47  H   UNL     1       6.766   1.558  -1.207  1.00  0.00           H  
HETATM   48  H   UNL     1       9.077  -0.413   0.060  1.00  0.00           H  
HETATM   49  H   UNL     1       9.424   0.782  -1.212  1.00  0.00           H  
HETATM   50  H   UNL     1      10.415   0.743   0.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.551   3.428   0.378  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.410   2.040  -2.068  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.634   3.138  -1.596  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.468   3.107   0.877  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.112   4.258   0.801  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.737   4.760   0.276  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.796   4.267  -2.885  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.841   5.416  -2.014  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.234   5.007  -1.367  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.955  -0.491   3.309  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.839   0.891   3.405  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.577   1.168   3.141  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.728   0.754  -1.904  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.210  -0.293   1.505  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.327  -1.676   1.410  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.578  -1.292  -1.037  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.372  -0.852   0.752  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.753  -3.454  -1.950  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.089  -4.159  -0.025  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.096  -4.515  -1.769  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.994  -5.398  -0.686  1.00  0.00           H  
HETATM   72  H   UNL     1       1.052  -3.541  -0.564  1.00  0.00           H  
HETATM   73  H   UNL     1       2.297  -2.473   1.765  1.00  0.00           H  
HETATM   74  H   UNL     1       4.451  -2.956   0.627  1.00  0.00           H  
HETATM   75  H   UNL     1       2.338  -5.070   0.014  1.00  0.00           H  
HETATM   76  H   UNL     1       4.079  -5.347   0.259  1.00  0.00           H  
HETATM   77  H   UNL     1       3.065  -4.804   1.617  1.00  0.00           H  
HETATM   78  H   UNL     1       2.677  -3.456  -1.806  1.00  0.00           H  
HETATM   79  H   UNL     1       3.818  -2.103  -1.614  1.00  0.00           H  
HETATM   80  H   UNL     1       4.426  -3.773  -1.713  1.00  0.00           H  
CONECT    1    5    2   39   40                                       
CONECT    2    1    3    3   12                                       
CONECT    3    2    2                                                 
CONECT    4    5   34                                                 
CONECT    5    4    1    6   41                                       
CONECT    6    5    7    7   42                                       
CONECT    7    8    6    6   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10   46   47                                       
CONECT   10    9   11                                                 
CONECT   11   10   48   49   50                                       
CONECT   12   13   51    2                                            
CONECT   13   12   14   17   52                                       
CONECT   14   13   15   16   53                                       
CONECT   15   14   54   55   56                                       
CONECT   16   14   57   58   59                                       
CONECT   17   13   18   18   20                                       
CONECT   18   17   17                                                 
CONECT   19   21   60   61   62                                       
CONECT   20   23   63   17                                            
CONECT   21   19   22                                                 
CONECT   22   21   23   64   65                                       
CONECT   23   20   22   25   66                                       
CONECT   24   25   25                                                 
CONECT   25   23   24   24   26                                       
CONECT   26   27   67   25                                            
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   68                                       
CONECT   29   28   69   70   71                                       
CONECT   30   27   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   33   72   30                                            
CONECT   33   32   34   36   73                                       
CONECT   34   33   35   35    4                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   38   74                                       
CONECT   37   36   75   76   77                                       
CONECT   38   36   78   79   80                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
