COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.953   0.725  -0.712  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.024   1.853   0.352  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.645   1.298   1.598  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.361   0.167   1.507  1.00  0.00           N  
HETATM    5  S   UNL     1      -7.307  -0.351  -0.086  1.00  0.00           S  
HETATM    6  O   UNL     1      -8.575   0.032  -0.599  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.903  -1.709   0.023  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.503   1.858   2.664  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.623   0.017  -0.676  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.855  -0.069  -1.822  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.635  -0.718  -1.789  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.183  -1.282  -0.610  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.954  -1.201   0.534  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.172  -0.547   0.502  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.853  -1.989  -0.574  1.00  0.00           C  
HETATM   16  C   UNL     1       0.248  -0.988  -0.219  1.00  0.00           C  
HETATM   17  N   UNL     1       0.367   0.007  -1.288  1.00  0.00           N  
HETATM   18  S   UNL     1       0.743   1.577  -0.919  1.00  0.00           S  
HETATM   19  O   UNL     1       0.836   2.254  -2.165  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.117   1.939   0.152  1.00  0.00           O  
HETATM   21  C   UNL     1       5.716  -3.510  -0.016  1.00  0.00           C  
HETATM   22  C   UNL     1       5.007  -2.500  -0.633  1.00  0.00           C  
HETATM   23  C   UNL     1       3.670  -2.307  -0.316  1.00  0.00           C  
HETATM   24  C   UNL     1       3.048  -3.140   0.630  1.00  0.00           C  
HETATM   25  C   UNL     1       3.786  -4.157   1.241  1.00  0.00           C  
HETATM   26  C   UNL     1       5.102  -4.332   0.917  1.00  0.00           C  
HETATM   27  N   UNL     1       2.701  -1.417  -0.735  1.00  0.00           N  
HETATM   28  C   UNL     1       1.558  -1.717  -0.062  1.00  0.00           C  
HETATM   29  N   UNL     1       1.761  -2.721   0.740  1.00  0.00           N  
HETATM   30  C   UNL     1       6.982   1.442  -0.883  1.00  0.00           C  
HETATM   31  O   UNL     1       5.766   1.908  -1.456  1.00  0.00           O  
HETATM   32  C   UNL     1       4.756   1.745  -0.564  1.00  0.00           C  
HETATM   33  C   UNL     1       4.944   1.594   0.801  1.00  0.00           C  
HETATM   34  N   UNL     1       6.203   1.577   1.410  1.00  0.00           N  
HETATM   35  C   UNL     1       7.175   2.139   0.469  1.00  0.00           C  
HETATM   36  C   UNL     1       3.461   1.736  -1.080  1.00  0.00           C  
HETATM   37  C   UNL     1       2.372   1.584  -0.248  1.00  0.00           C  
HETATM   38  C   UNL     1       2.560   1.438   1.114  1.00  0.00           C  
HETATM   39  C   UNL     1       3.837   1.442   1.635  1.00  0.00           C  
HETATM   40  C   UNL     1       6.134   2.504   2.548  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.172   1.104  -1.710  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.019   2.214   0.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.632   2.675  -0.026  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.827  -0.274   2.235  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.207   0.372  -2.743  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.034  -0.785  -2.684  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.602  -1.641   1.455  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.772  -0.480   1.398  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.647  -2.425  -1.552  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.882  -2.779   0.176  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.004  -0.488   0.717  1.00  0.00           H  
HETATM   52  H   UNL     1       0.226  -0.254  -2.211  1.00  0.00           H  
HETATM   53  H   UNL     1       6.757  -3.661  -0.261  1.00  0.00           H  
HETATM   54  H   UNL     1       5.491  -1.863  -1.359  1.00  0.00           H  
HETATM   55  H   UNL     1       3.317  -4.803   1.968  1.00  0.00           H  
HETATM   56  H   UNL     1       5.669  -5.119   1.392  1.00  0.00           H  
HETATM   57  H   UNL     1       2.815  -0.709  -1.389  1.00  0.00           H  
HETATM   58  H   UNL     1       7.815   1.684  -1.543  1.00  0.00           H  
HETATM   59  H   UNL     1       6.930   0.364  -0.736  1.00  0.00           H  
HETATM   60  H   UNL     1       7.006   3.210   0.359  1.00  0.00           H  
HETATM   61  H   UNL     1       8.187   1.961   0.834  1.00  0.00           H  
HETATM   62  H   UNL     1       3.309   1.850  -2.143  1.00  0.00           H  
HETATM   63  H   UNL     1       1.709   1.321   1.769  1.00  0.00           H  
HETATM   64  H   UNL     1       3.981   1.327   2.700  1.00  0.00           H  
HETATM   65  H   UNL     1       5.708   3.452   2.219  1.00  0.00           H  
HETATM   66  H   UNL     1       5.505   2.075   3.328  1.00  0.00           H  
HETATM   67  H   UNL     1       7.136   2.673   2.941  1.00  0.00           H  
CONECT    1    2    5    9   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   44                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   47                                       
CONECT   14    9   13   13   48                                       
CONECT   15   12   16   49   50                                       
CONECT   16   15   17   28   51                                       
CONECT   17   16   18   52                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   37                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   22   26   53                                       
CONECT   22   21   21   23   54                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   29                                       
CONECT   25   24   26   26   55                                       
CONECT   26   21   25   25   56                                       
CONECT   27   23   28   57                                            
CONECT   28   16   27   29   29                                       
CONECT   29   24   28   28                                            
CONECT   30   31   35   58   59                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   36                                       
CONECT   33   32   32   34   39                                       
CONECT   34   33   35   40                                            
CONECT   35   30   34   60   61                                       
CONECT   36   32   37   37   62                                       
CONECT   37   18   36   36   38                                       
CONECT   38   37   39   39   63                                       
CONECT   39   33   38   38   64                                       
CONECT   40   34   65   66   67                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
