COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.192   1.153  -0.483  1.00  0.00           C  
HETATM    2  C   UNL     1       6.476   0.064   0.984  1.00  0.00           C  
HETATM    3  C   UNL     1       8.305  -1.369   0.408  1.00  0.00           C  
HETATM    4  C   UNL     1       8.424   0.975  -0.068  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.983   1.713   0.499  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.286   1.251   0.945  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.590   0.771   1.374  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.198  -2.557   0.879  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.147  -2.117   0.016  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.887  -2.740   0.269  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.843  -2.197  -0.708  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.629  -0.771  -0.451  1.00  0.00           N  
HETATM   13  C   UNL     1       0.321  -0.347   0.581  1.00  0.00           C  
HETATM   14  C   UNL     1       1.731  -0.301  -0.013  1.00  0.00           C  
HETATM   15  C   UNL     1       1.798   0.786  -1.089  1.00  0.00           C  
HETATM   16  C   UNL     1       3.226   0.865  -1.635  1.00  0.00           C  
HETATM   17  N   UNL     1       4.091   0.085   0.520  1.00  0.00           N  
HETATM   18  C   UNL     1       5.101   0.254   1.573  1.00  0.00           C  
HETATM   19  C   UNL     1       7.047  -1.194   0.953  1.00  0.00           C  
HETATM   20  C   UNL     1       8.993  -0.285  -0.105  1.00  0.00           C  
HETATM   21  C   UNL     1       7.163   1.148   0.472  1.00  0.00           C  
HETATM   22  C   UNL     1       2.740   0.020   1.092  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.461   0.363  -1.326  1.00  0.00           S  
HETATM   24  O   UNL     1      -0.691   1.556  -1.273  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.837  -0.267  -2.543  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.957   0.698  -0.456  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.120   1.993   1.192  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.479   1.511   1.640  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.564  -0.243   0.419  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.430  -0.517  -0.283  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.263   0.226  -0.034  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.069  -0.038  -0.726  1.00  0.00           C  
HETATM   33  H   UNL     1       5.211   1.196  -0.866  1.00  0.00           H  
HETATM   34  H   UNL     1       3.935   2.107  -0.024  1.00  0.00           H  
HETATM   35  H   UNL     1       8.749  -2.353   0.379  1.00  0.00           H  
HETATM   36  H   UNL     1       8.961   1.822  -0.468  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.086   2.282   0.694  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.505   0.974   1.910  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.121  -2.037   0.622  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.340  -3.631   0.760  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.933  -2.338   1.913  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.574  -2.525   1.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.981  -3.818   0.138  1.00  0.00           H  
HETATM   44  H   UNL     1       0.096  -2.735  -0.574  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.197  -2.332  -1.730  1.00  0.00           H  
HETATM   46  H   UNL     1       0.047   0.644   0.942  1.00  0.00           H  
HETATM   47  H   UNL     1       0.299  -1.055   1.409  1.00  0.00           H  
HETATM   48  H   UNL     1       1.971  -1.268  -0.455  1.00  0.00           H  
HETATM   49  H   UNL     1       1.111   0.538  -1.899  1.00  0.00           H  
HETATM   50  H   UNL     1       1.518   1.746  -0.655  1.00  0.00           H  
HETATM   51  H   UNL     1       3.290   1.666  -2.372  1.00  0.00           H  
HETATM   52  H   UNL     1       3.490  -0.083  -2.103  1.00  0.00           H  
HETATM   53  H   UNL     1       4.937  -0.486   2.356  1.00  0.00           H  
HETATM   54  H   UNL     1       5.022   1.255   1.995  1.00  0.00           H  
HETATM   55  H   UNL     1       6.510  -2.041   1.354  1.00  0.00           H  
HETATM   56  H   UNL     1       9.976  -0.421  -0.531  1.00  0.00           H  
HETATM   57  H   UNL     1       6.715   2.131   0.492  1.00  0.00           H  
HETATM   58  H   UNL     1       2.491   0.980   1.544  1.00  0.00           H  
HETATM   59  H   UNL     1       2.705  -0.760   1.854  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.125   2.783   1.930  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.514   2.294   2.383  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.459  -0.816   0.227  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.424  -1.306  -1.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.036  -0.816  -1.475  1.00  0.00           H  
CONECT    1   16   17   33   34                                       
CONECT    2   19   19   21   18                                       
CONECT    3   20   20   19   35                                       
CONECT    4   20   21   21   36                                       
CONECT    5   27   26   26   37                                       
CONECT    6   28   27   27   31                                       
CONECT    7   28   28   29   38                                       
CONECT    8    9   39   40   41                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   42   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   23   11   13                                            
CONECT   13   12   14   46   47                                       
CONECT   14   15   13   22   48                                       
CONECT   15   16   14   49   50                                       
CONECT   16   15    1   51   52                                       
CONECT   17    1   18   22                                            
CONECT   18   17    2   53   54                                       
CONECT   19    3    2    2   55                                       
CONECT   20    3    3    4   56                                       
CONECT   21    4    4    2   57                                       
CONECT   22   14   17   58   59                                       
CONECT   23   26   12   25   25                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26    5    5   32   23                                       
CONECT   27    6    6    5   60                                       
CONECT   28    7    7    6   61                                       
CONECT   29    7   30   30   62                                       
CONECT   30   29   29   31   63                                       
CONECT   31    6   30   32   32                                       
CONECT   32   31   31   26   64                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
