COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.665   0.783  -2.116  1.00  0.00           C  
HETATM    2  C   UNL     1       3.795   1.260  -0.982  1.00  0.00           C  
HETATM    3  O   UNL     1       6.266  -3.332   1.390  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.909  -2.823  -1.782  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.465  -3.804   0.472  1.00  0.00           O  
HETATM    6  S   UNL     1      -3.609  -2.691  -0.400  1.00  0.00           S  
HETATM    7  O   UNL     1      -4.702  -1.831   0.190  1.00  0.00           O  
HETATM    8  C   UNL     1       3.346   0.374  -0.045  1.00  0.00           C  
HETATM    9  C   UNL     1       2.572   0.807   1.025  1.00  0.00           C  
HETATM   10  C   UNL     1       2.207   2.120   1.133  1.00  0.00           C  
HETATM   11  C   UNL     1       2.620   3.034   0.170  1.00  0.00           C  
HETATM   12  C   UNL     1       3.448   2.615  -0.885  1.00  0.00           C  
HETATM   13  N   UNL     1       3.738   3.700  -1.630  1.00  0.00           N  
HETATM   14  N   UNL     1       3.139   4.738  -1.163  1.00  0.00           N  
HETATM   15  N   UNL     1       2.387   4.372  -0.038  1.00  0.00           N  
HETATM   16  C   UNL     1       1.504   5.237   0.750  1.00  0.00           C  
HETATM   17  C   UNL     1       0.149   5.353   0.050  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.835   4.635   0.799  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.035   4.365   0.072  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.200   4.198   1.049  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.325   3.649   0.360  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.274   1.518   0.486  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.408   2.300   0.278  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.615   1.680  -0.025  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.687   0.303  -0.071  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.564  -0.485   0.173  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.351   0.138   0.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.100  -0.696   0.608  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.180  -1.845  -0.310  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.413  -3.474  -1.940  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.053  -2.210  -1.156  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.965  -4.343   0.809  1.00  0.00           C  
HETATM   33  C   UNL     1       2.540  -2.956   1.020  1.00  0.00           C  
HETATM   34  C   UNL     1       1.423  -3.739   1.250  1.00  0.00           C  
HETATM   35  C   UNL     1       0.253  -3.493   0.556  1.00  0.00           C  
HETATM   36  C   UNL     1       0.199  -2.468  -0.370  1.00  0.00           C  
HETATM   37  C   UNL     1       1.313  -1.678  -0.591  1.00  0.00           C  
HETATM   38  C   UNL     1       2.484  -1.927   0.098  1.00  0.00           C  
HETATM   39  C   UNL     1       3.707  -1.083  -0.162  1.00  0.00           C  
HETATM   40  C   UNL     1       4.789  -1.424   0.865  1.00  0.00           C  
HETATM   41  C   UNL     1       5.305  -2.816   0.607  1.00  0.00           C  
HETATM   42  O   UNL     1       4.853  -3.469  -0.304  1.00  0.00           O  
HETATM   43  H   UNL     1       4.038   0.490  -2.958  1.00  0.00           H  
HETATM   44  H   UNL     1       5.334   1.586  -2.424  1.00  0.00           H  
HETATM   45  H   UNL     1       5.254  -0.074  -1.786  1.00  0.00           H  
HETATM   46  H   UNL     1       6.564  -4.229   1.186  1.00  0.00           H  
HETATM   47  H   UNL     1       2.255   0.100   1.777  1.00  0.00           H  
HETATM   48  H   UNL     1       1.600   2.446   1.965  1.00  0.00           H  
HETATM   49  H   UNL     1       1.365   4.807   1.742  1.00  0.00           H  
HETATM   50  H   UNL     1       1.952   6.227   0.842  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.138   6.402  -0.015  1.00  0.00           H  
HETATM   52  H   UNL     1       0.221   4.932  -0.953  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.245   5.193  -0.604  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.911   3.448  -0.505  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.905   3.526   1.855  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.468   5.169   1.465  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.328   1.992   0.700  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.494   2.275  -0.223  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.630  -0.171  -0.299  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.220  -0.097   0.374  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.044  -1.050   1.637  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.870  -3.194  -2.890  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.510  -4.055  -2.128  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.117  -4.073  -1.362  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.864  -1.401  -1.861  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.624  -3.834   1.513  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.494  -4.509  -0.129  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.658  -5.301   1.228  1.00  0.00           H  
HETATM   69  H   UNL     1       3.455  -3.149   1.560  1.00  0.00           H  
HETATM   70  H   UNL     1       1.465  -4.542   1.971  1.00  0.00           H  
HETATM   71  H   UNL     1       1.267  -0.867  -1.303  1.00  0.00           H  
HETATM   72  H   UNL     1       4.082  -1.286  -1.165  1.00  0.00           H  
HETATM   73  H   UNL     1       5.609  -0.711   0.780  1.00  0.00           H  
HETATM   74  H   UNL     1       4.366  -1.373   1.869  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    8    8   12    1                                       
CONECT    3   41   46                                                 
CONECT    4    6    6                                                 
CONECT    5    6    6                                                 
CONECT    6   29    7    4    4                                       
CONECT    6    5    5                                                 
CONECT    7   26    6                                                 
CONECT    8    9   39    2    2                                       
CONECT    9   10   10    8   47                                       
CONECT   10    9    9   11   48                                       
CONECT   11   10   15   12   12                                       
CONECT   12   11   11   13    2                                       
CONECT   13   14   14   12                                            
CONECT   14   15   13   13                                            
CONECT   15   16   11   14                                            
CONECT   16   17   15   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   53   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   20   23                                                 
CONECT   22   23   27   27   57                                       
CONECT   23   21   22   24   24                                       
CONECT   24   23   23   25   58                                       
CONECT   25   24   26   26   59                                       
CONECT   26   27   25   25    7                                       
CONECT   27   22   22   28   26                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   31    6                                            
CONECT   30   31   62   63   64                                       
CONECT   31   30   36   29   65                                       
CONECT   32   35   66   67   68                                       
CONECT   33   38   38   34   69                                       
CONECT   34   33   35   35   70                                       
CONECT   35   36   34   34   32                                       
CONECT   36   37   37   31   35                                       
CONECT   37   38   36   36   71                                       
CONECT   38   39   37   33   33                                       
CONECT   39   40    8   38   72                                       
CONECT   40   41   39   73   74                                       
CONECT   41   42   42    3   40                                       
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
