COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.878   6.441   0.957  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.295   5.555  -0.001  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.940   4.381  -0.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   3.475  -1.147  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.087   2.282  -1.378  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.254   1.992  -0.695  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.766   2.894   0.220  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.108   4.085   0.458  1.00  0.00           C  
HETATM    9  S   UNL     1      -4.091   0.470  -0.991  1.00  0.00           S  
HETATM   10  O   UNL     1      -5.447   0.679  -0.621  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.697   0.041  -2.287  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.481  -0.641   0.075  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.194  -0.927   1.322  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.071  -2.166   1.135  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.162  -1.868   0.104  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.210  -3.332   0.643  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.228  -1.337  -0.229  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.058  -0.579   0.400  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.208  -3.720   1.733  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.176  -0.618   1.824  1.00  0.00           O  
HETATM   21  C   UNL     1       0.259  -1.234  -0.020  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.141  -0.844   0.680  1.00  0.00           C  
HETATM   23  N   UNL     1       1.383  -0.440   0.484  1.00  0.00           N  
HETATM   24  C   UNL     1       2.578  -0.493  -0.138  1.00  0.00           C  
HETATM   25  O   UNL     1       2.723  -1.199  -1.116  1.00  0.00           O  
HETATM   26  O   UNL     1       3.610   0.237   0.326  1.00  0.00           O  
HETATM   27  C   UNL     1       4.867   0.131  -0.393  1.00  0.00           C  
HETATM   28  C   UNL     1       4.953   1.212  -1.485  1.00  0.00           C  
HETATM   29  O   UNL     1       6.033   2.089  -1.137  1.00  0.00           O  
HETATM   30  C   UNL     1       6.962   1.347  -0.325  1.00  0.00           C  
HETATM   31  O   UNL     1       7.586   2.247   0.602  1.00  0.00           O  
HETATM   32  C   UNL     1       6.807   2.352   1.797  1.00  0.00           C  
HETATM   33  C   UNL     1       5.584   1.424   1.641  1.00  0.00           C  
HETATM   34  C   UNL     1       6.051   0.430   0.549  1.00  0.00           C  
HETATM   35  C   UNL     1       0.334  -2.648   0.559  1.00  0.00           C  
HETATM   36  C   UNL     1       2.759  -3.237   0.746  1.00  0.00           C  
HETATM   37  C   UNL     1       3.895  -3.869   0.274  1.00  0.00           C  
HETATM   38  C   UNL     1       3.842  -4.601  -0.897  1.00  0.00           C  
HETATM   39  C   UNL     1       2.655  -4.701  -1.597  1.00  0.00           C  
HETATM   40  C   UNL     1       1.519  -4.069  -1.126  1.00  0.00           C  
HETATM   41  C   UNL     1       1.571  -3.337   0.046  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.265   7.338   1.044  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.882   6.717   0.633  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.933   5.943   1.926  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.518   3.701  -1.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.690   1.576  -2.092  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.677   2.665   0.751  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.505   4.787   1.176  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.473  -1.109   2.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.820  -0.075   1.587  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.533  -2.432   2.086  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.707  -1.467  -0.801  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.697  -2.787  -0.135  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.849  -4.185   0.416  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.671  -3.031  -0.255  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.267  -2.348   0.176  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.092  -1.383  -1.310  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.072   0.457   0.063  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.747  -4.021   2.631  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.595  -4.550   1.382  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.569  -2.867   1.960  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.170  -1.511   2.195  1.00  0.00           H  
HETATM   63  H   UNL     1       0.309  -1.284  -1.108  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.912  -0.622  -0.058  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.606  -1.250   1.579  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.604   0.071   0.931  1.00  0.00           H  
HETATM   67  H   UNL     1       1.266   0.124   1.264  1.00  0.00           H  
HETATM   68  H   UNL     1       4.970  -0.861  -0.832  1.00  0.00           H  
HETATM   69  H   UNL     1       5.150   0.748  -2.452  1.00  0.00           H  
HETATM   70  H   UNL     1       4.019   1.773  -1.526  1.00  0.00           H  
HETATM   71  H   UNL     1       7.687   0.792  -0.920  1.00  0.00           H  
HETATM   72  H   UNL     1       7.402   2.038   2.655  1.00  0.00           H  
HETATM   73  H   UNL     1       6.475   3.381   1.933  1.00  0.00           H  
HETATM   74  H   UNL     1       5.373   0.902   2.574  1.00  0.00           H  
HETATM   75  H   UNL     1       4.712   1.986   1.305  1.00  0.00           H  
HETATM   76  H   UNL     1       6.548  -0.463   0.928  1.00  0.00           H  
HETATM   77  H   UNL     1       0.373  -2.593   1.647  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.549  -3.212   0.256  1.00  0.00           H  
HETATM   79  H   UNL     1       2.799  -2.669   1.663  1.00  0.00           H  
HETATM   80  H   UNL     1       4.823  -3.790   0.821  1.00  0.00           H  
HETATM   81  H   UNL     1       4.730  -5.094  -1.266  1.00  0.00           H  
HETATM   82  H   UNL     1       2.614  -5.273  -2.513  1.00  0.00           H  
HETATM   83  H   UNL     1       0.591  -4.148  -1.673  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   47                                       
CONECT    8    3    7    7   48                                       
CONECT    9    6   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   17                                            
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   16   51                                       
CONECT   15   14   22   52   53                                       
CONECT   16   14   19   54   55                                       
CONECT   17   12   18   56   57                                       
CONECT   18   17   20   21   58                                       
CONECT   19   16   59   60   61                                       
CONECT   20   18   62                                                 
CONECT   21   18   23   35   63                                       
CONECT   22   15   64   65   66                                       
CONECT   23   21   24   67                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   34   68                                       
CONECT   28   27   29   69   70                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   34   71                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   72   73                                       
CONECT   33   32   34   74   75                                       
CONECT   34   27   30   33   76                                       
CONECT   35   21   41   77   78                                       
CONECT   36   37   37   41   79                                       
CONECT   37   36   36   38   80                                       
CONECT   38   37   39   39   81                                       
CONECT   39   38   38   40   82                                       
CONECT   40   39   41   41   83                                       
CONECT   41   35   36   40   40                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
