COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.045  -1.340   0.924  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.506   0.607  -0.315  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.516  -1.052  -0.294  1.00  0.00           C  
HETATM    4  C   UNL     1       2.323  -0.596  -0.558  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.728   0.194  -0.730  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.558   1.367  -0.241  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.944   2.515   0.080  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.669   1.463  -0.205  1.00  0.00           C  
HETATM    9  C   UNL     1       9.202   0.401   0.529  1.00  0.00           C  
HETATM   10  C   UNL     1       4.844   1.975   0.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.332  -0.731  -1.781  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.128  -3.257   2.327  1.00  0.00           C  
HETATM   13  C   UNL     1      13.293   0.751   1.145  1.00  0.00           C  
HETATM   14  S   UNL     1      11.898  -0.332   0.746  1.00  0.00           S  
HETATM   15  O   UNL     1      10.809   2.002   1.058  1.00  0.00           O  
HETATM   16  C   UNL     1      10.580   0.836   0.798  1.00  0.00           C  
HETATM   17  C   UNL     1       7.349  -3.557  -1.808  1.00  0.00           C  
HETATM   18  O   UNL     1       4.321  -2.627  -0.700  1.00  0.00           O  
HETATM   19  O   UNL     1     -13.003  -0.364  -0.030  1.00  0.00           O  
HETATM   20  O   UNL     1     -11.809  -2.289   1.527  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.885   2.623  -1.168  1.00  0.00           O  
HETATM   22  N   UNL     1      -7.537  -0.132   0.472  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.294   0.977  -0.318  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.476   1.447  -0.801  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.899   0.601  -0.480  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.653  -0.360   0.132  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.676  -1.346   1.103  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.892  -0.375   0.487  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.760  -0.444   0.409  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.974   1.559  -0.586  1.00  0.00           C  
HETATM   31  O   UNL     1       2.460  -1.764  -0.869  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.022   3.712   0.261  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.860   0.914  -0.187  1.00  0.00           N  
HETATM   34  N   UNL     1       0.686   1.292  -0.162  1.00  0.00           N  
HETATM   35  C   UNL     1       0.978  -0.003  -0.496  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.208  -0.657  -0.766  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.535   2.625   0.058  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.237   0.259  -0.591  1.00  0.00           C  
HETATM   39  N   UNL     1       8.815  -0.891   0.224  1.00  0.00           N  
HETATM   40  C   UNL     1       8.105   1.203   0.545  1.00  0.00           C  
HETATM   41  C   UNL     1       3.378   1.594   0.010  1.00  0.00           C  
HETATM   42  N   UNL     1       3.405   0.156  -0.270  1.00  0.00           N  
HETATM   43  O   UNL     1       6.985  -3.193  -0.475  1.00  0.00           O  
HETATM   44  C   UNL     1       5.609   0.680   0.118  1.00  0.00           C  
HETATM   45  C   UNL     1       4.720  -0.323  -0.194  1.00  0.00           C  
HETATM   46  C   UNL     1       5.197  -1.633  -0.391  1.00  0.00           C  
HETATM   47  C   UNL     1       6.543  -1.920  -0.281  1.00  0.00           C  
HETATM   48  C   UNL     1       7.450  -0.910   0.037  1.00  0.00           C  
HETATM   49  C   UNL     1       6.979   0.401   0.241  1.00  0.00           C  
HETATM   50  H   UNL     1      -3.047  -1.929   0.152  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.537   3.373   0.360  1.00  0.00           H  
HETATM   52  H   UNL     1       5.184   2.708  -0.456  1.00  0.00           H  
HETATM   53  H   UNL     1       4.959   2.365   1.287  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.648  -1.360  -2.351  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.203  -0.369  -2.329  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.852  -3.954   2.749  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.415  -3.803   1.709  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.596  -2.753   3.134  1.00  0.00           H  
HETATM   59  H   UNL     1      14.214   0.169   1.154  1.00  0.00           H  
HETATM   60  H   UNL     1      13.368   1.538   0.394  1.00  0.00           H  
HETATM   61  H   UNL     1      13.136   1.199   2.126  1.00  0.00           H  
HETATM   62  H   UNL     1       8.156  -2.911  -2.154  1.00  0.00           H  
HETATM   63  H   UNL     1       7.682  -4.595  -1.822  1.00  0.00           H  
HETATM   64  H   UNL     1       6.486  -3.443  -2.464  1.00  0.00           H  
HETATM   65  H   UNL     1       4.179  -2.744  -1.649  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.308  -0.885  -0.786  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.864  -0.651   0.939  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.605   2.302  -1.448  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.375   1.354  -1.091  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.214  -2.103   1.720  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.652  -1.029   0.185  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.601  -0.381   1.485  1.00  0.00           H  
HETATM   73  H   UNL     1       1.334   1.976   0.067  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.316  -1.691  -1.058  1.00  0.00           H  
HETATM   75  H   UNL     1       9.406  -1.657   0.153  1.00  0.00           H  
HETATM   76  H   UNL     1       8.094   2.263   0.752  1.00  0.00           H  
HETATM   77  H   UNL     1       2.769   1.797   0.891  1.00  0.00           H  
HETATM   78  H   UNL     1       2.994   2.140  -0.851  1.00  0.00           H  
CONECT    1   26   20   27   27                                       
CONECT    2   25   24   28   28                                       
CONECT    3   11   29    5   50                                       
CONECT    4   42   35   31   31                                       
CONECT    5   11    3   38    6                                       
CONECT    6    5   33    7    7                                       
CONECT    7    6    6   37   51                                       
CONECT    8   38   38   34   37                                       
CONECT    9   16   40   40   39                                       
CONECT   10   41   44   52   53                                       
CONECT   11    3    5   54   55                                       
CONECT   12   20   56   57   58                                       
CONECT   13   14   59   60   61                                       
CONECT   14   13   16                                                 
CONECT   15   16   16                                                 
CONECT   16   14   15   15    9                                       
CONECT   17   43   62   63   64                                       
CONECT   18   46   65                                                 
CONECT   19   26   66                                                 
CONECT   20    1   12                                                 
CONECT   21   30   30                                                 
CONECT   22   28   23   67                                            
CONECT   23   24   24   30   22                                       
CONECT   24    2   23   23   68                                       
CONECT   25   26   26    2   69                                       
CONECT   26   19   25   25    1                                       
CONECT   27    1    1   28   70                                       
CONECT   28    2    2   27   22                                       
CONECT   29    3   33   71   72                                       
CONECT   30   33   23   21   21                                       
CONECT   31    4    4                                                 
CONECT   32   37   37                                                 
CONECT   33   29    6   30                                            
CONECT   34   35    8   73                                            
CONECT   35   36   36    4   34                                       
CONECT   36   38   35   35   74                                       
CONECT   37    8    7   32   32                                       
CONECT   38   36    5    8    8                                       
CONECT   39    9   48   75                                            
CONECT   40    9    9   49   76                                       
CONECT   41   10   42   77   78                                       
CONECT   42   41   45    4                                            
CONECT   43   17   47                                                 
CONECT   44   10   49   49   45                                       
CONECT   45   44   42   46   46                                       
CONECT   46   45   45   47   18                                       
CONECT   47   48   48   46   43                                       
CONECT   48   49   39   47   47                                       
CONECT   49   40   44   44   48                                       
CONECT   50    3                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
