COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.754  -2.943  -2.370  1.00  0.00           C  
HETATM    2  C   UNL     1       2.662  -3.266  -1.348  1.00  0.00           C  
HETATM    3  C   UNL     1       1.294  -2.911  -1.934  1.00  0.00           C  
HETATM    4  C   UNL     1       2.702  -4.759  -1.013  1.00  0.00           C  
HETATM    5  C   UNL     1       2.821  -1.153  -0.250  1.00  0.00           C  
HETATM    6  C   UNL     1       2.722   1.068   0.748  1.00  0.00           C  
HETATM    7  C   UNL     1       1.381   1.353   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.440   1.036   0.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.631   2.537  -0.125  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.810   2.766  -1.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.055   3.037  -0.500  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.136   3.246  -1.335  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.973   3.184  -2.706  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.728   2.913  -3.242  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.645   2.709  -2.407  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.652   0.472   0.792  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.908  -0.449   0.750  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.979  -0.790  -0.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.191  -1.353   0.408  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.205  -0.516   0.836  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.409  -2.294   1.671  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.439  -3.191   1.267  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.306  -2.718   0.623  1.00  0.00           C  
HETATM   24  C   UNL     1       3.854   1.680  -0.080  1.00  0.00           C  
HETATM   25  C   UNL     1       5.157   1.526   0.660  1.00  0.00           C  
HETATM   26  C   UNL     1       6.068   0.523   0.287  1.00  0.00           C  
HETATM   27  C   UNL     1       5.791  -0.355  -0.775  1.00  0.00           C  
HETATM   28  C   UNL     1       6.697  -1.314  -1.109  1.00  0.00           C  
HETATM   29  C   UNL     1       7.897  -1.441  -0.413  1.00  0.00           C  
HETATM   30  C   UNL     1       8.199  -0.609   0.621  1.00  0.00           C  
HETATM   31  C   UNL     1       7.289   0.394   0.995  1.00  0.00           C  
HETATM   32  C   UNL     1       7.565   1.272   2.057  1.00  0.00           C  
HETATM   33  C   UNL     1       6.660   2.232   2.390  1.00  0.00           C  
HETATM   34  C   UNL     1       5.462   2.362   1.691  1.00  0.00           C  
HETATM   35  N   UNL     1       2.920  -0.380   0.850  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.729   0.099   0.073  1.00  0.00           N  
HETATM   37  N   UNL     1      -9.268  -1.002   1.446  1.00  0.00           N  
HETATM   38  O   UNL     1       2.887  -2.493  -0.140  1.00  0.00           O  
HETATM   39  O   UNL     1       2.672  -0.640  -1.342  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.658   0.355   1.999  1.00  0.00           O  
HETATM   41  S   UNL     1       0.030   0.757   1.121  1.00  0.00           S  
HETATM   42  H   UNL     1       4.733  -3.137  -1.930  1.00  0.00           H  
HETATM   43  H   UNL     1       3.622  -3.569  -3.253  1.00  0.00           H  
HETATM   44  H   UNL     1       3.686  -1.894  -2.655  1.00  0.00           H  
HETATM   45  H   UNL     1       1.126  -3.491  -2.841  1.00  0.00           H  
HETATM   46  H   UNL     1       0.516  -3.141  -1.206  1.00  0.00           H  
HETATM   47  H   UNL     1       1.266  -1.848  -2.172  1.00  0.00           H  
HETATM   48  H   UNL     1       3.677  -5.011  -0.596  1.00  0.00           H  
HETATM   49  H   UNL     1       1.924  -4.989  -0.285  1.00  0.00           H  
HETATM   50  H   UNL     1       2.534  -5.339  -1.920  1.00  0.00           H  
HETATM   51  H   UNL     1       2.723   1.506   1.746  1.00  0.00           H  
HETATM   52  H   UNL     1       1.274   2.426  -0.089  1.00  0.00           H  
HETATM   53  H   UNL     1       1.345   0.841  -0.894  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.311   0.540  -0.867  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.812   3.026   0.832  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.733   2.954  -0.582  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.183   3.085   0.571  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.109   3.458  -0.916  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.818   3.347  -3.359  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.600   2.864  -4.314  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.672   2.497  -2.826  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.301   0.289   1.449  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.628  -1.351   1.293  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.259   0.112  -0.831  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.586  -1.528  -0.987  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.125   0.548   0.669  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.295  -2.654   2.173  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.561  -4.248   1.454  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.532  -3.396   0.296  1.00  0.00           H  
HETATM   70  H   UNL     1       3.919   1.169  -1.041  1.00  0.00           H  
HETATM   71  H   UNL     1       3.652   2.739  -0.244  1.00  0.00           H  
HETATM   72  H   UNL     1       4.865  -0.269  -1.324  1.00  0.00           H  
HETATM   73  H   UNL     1       6.482  -1.988  -1.925  1.00  0.00           H  
HETATM   74  H   UNL     1       8.599  -2.211  -0.698  1.00  0.00           H  
HETATM   75  H   UNL     1       9.133  -0.719   1.152  1.00  0.00           H  
HETATM   76  H   UNL     1       8.492   1.185   2.606  1.00  0.00           H  
HETATM   77  H   UNL     1       6.875   2.905   3.207  1.00  0.00           H  
HETATM   78  H   UNL     1       4.762   3.135   1.973  1.00  0.00           H  
HETATM   79  H   UNL     1       3.122  -0.783   1.709  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.724   0.192  -0.893  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    4    1   38    3                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2   48   49   50                                       
CONECT    5   38   35   39   39                                       
CONECT    6   24   35    7   51                                       
CONECT    7    6   41   52   53                                       
CONECT    8    9   16   41   54                                       
CONECT    9    8   10   55   56                                       
CONECT   10   15    9   11   11                                       
CONECT   11   10   10   12   57                                       
CONECT   12   13   13   11   58                                       
CONECT   13   14   12   12   59                                       
CONECT   14   15   15   13   60                                       
CONECT   15   14   14   10   61                                       
CONECT   16   36    8   40   40                                       
CONECT   17   18   36   62   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   23   23   20   18                                       
CONECT   20   37   37   19   66                                       
CONECT   21   22   22   37   67                                       
CONECT   22   21   21   23   68                                       
CONECT   23   22   19   19   69                                       
CONECT   24   25    6   70   71                                       
CONECT   25   26   24   34   34                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   26   26   72                                       
CONECT   28   29   29   27   73                                       
CONECT   29   28   28   30   74                                       
CONECT   30   29   31   31   75                                       
CONECT   31   30   30   26   32                                       
CONECT   32   31   33   33   76                                       
CONECT   33   32   32   34   77                                       
CONECT   34   25   25   33   78                                       
CONECT   35    5    6   79                                            
CONECT   36   17   16   80                                            
CONECT   37   21   20   20                                            
CONECT   38    2    5                                                 
CONECT   39    5    5                                                 
CONECT   40   16   16                                                 
CONECT   41    7    8                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
