COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.815   4.119   0.295  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.172   5.309   0.482  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.291   5.452  -0.647  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.017   4.094  -1.041  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.108   3.375  -0.646  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.563   2.120  -1.016  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.717   1.609  -0.451  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.419   2.348   0.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.970   3.601   0.857  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.295   0.013  -0.924  1.00  0.00           S  
HETATM   11  O   UNL     1      -5.689  -0.007  -0.649  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.753  -0.244  -2.212  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.600  -1.084   0.103  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.276  -1.449   1.351  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.096  -2.721   1.134  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.701  -3.172   2.465  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.219  -2.440   0.133  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.310  -1.690  -0.236  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.184  -0.900   0.433  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.296  -1.019   1.853  1.00  0.00           O  
HETATM   21  C   UNL     1       0.168  -1.455  -0.020  1.00  0.00           C  
HETATM   22  N   UNL     1       1.244  -0.624   0.525  1.00  0.00           N  
HETATM   23  C   UNL     1       2.439  -0.576  -0.097  1.00  0.00           C  
HETATM   24  O   UNL     1       2.623  -1.221  -1.110  1.00  0.00           O  
HETATM   25  O   UNL     1       3.428   0.188   0.404  1.00  0.00           O  
HETATM   26  C   UNL     1       4.688   0.192  -0.319  1.00  0.00           C  
HETATM   27  C   UNL     1       4.709   1.331  -1.354  1.00  0.00           C  
HETATM   28  O   UNL     1       5.737   2.250  -0.960  1.00  0.00           O  
HETATM   29  C   UNL     1       6.710   1.522  -0.186  1.00  0.00           C  
HETATM   30  O   UNL     1       7.283   2.407   0.786  1.00  0.00           O  
HETATM   31  C   UNL     1       6.501   2.405   1.985  1.00  0.00           C  
HETATM   32  C   UNL     1       5.334   1.417   1.780  1.00  0.00           C  
HETATM   33  C   UNL     1       5.855   0.510   0.638  1.00  0.00           C  
HETATM   34  C   UNL     1       0.325  -2.890   0.486  1.00  0.00           C  
HETATM   35  C   UNL     1       2.781  -3.347   0.643  1.00  0.00           C  
HETATM   36  C   UNL     1       3.950  -3.887   0.140  1.00  0.00           C  
HETATM   37  C   UNL     1       3.937  -4.559  -1.068  1.00  0.00           C  
HETATM   38  C   UNL     1       2.755  -4.692  -1.772  1.00  0.00           C  
HETATM   39  C   UNL     1       1.586  -4.152  -1.270  1.00  0.00           C  
HETATM   40  C   UNL     1       1.599  -3.479  -0.062  1.00  0.00           C  
HETATM   41  H   UNL     1       7.464   1.040  -0.809  1.00  0.00           H  
HETATM   42  H   UNL     1       6.404  -0.371   0.972  1.00  0.00           H  
HETATM   43  H   UNL     1       4.847  -0.769  -0.808  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.346  -2.386   2.856  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.286  -4.079   2.310  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.901  -3.373   3.178  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.451  -3.508   0.743  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.865  -1.653   0.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.789  -2.118  -0.815  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.804  -3.346  -0.022  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.532  -1.624   2.129  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.937  -0.638   1.657  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.289  -2.721   0.117  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.174  -1.673  -1.317  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.259   0.150   0.150  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.238  -1.928   2.177  1.00  0.00           H  
HETATM   57  H   UNL     1       0.218  -1.446  -1.109  1.00  0.00           H  
HETATM   58  H   UNL     1       0.364  -2.889   1.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.524  -3.488   0.153  1.00  0.00           H  
HETATM   60  H   UNL     1       2.790  -2.826   1.589  1.00  0.00           H  
HETATM   61  H   UNL     1       4.873  -3.783   0.691  1.00  0.00           H  
HETATM   62  H   UNL     1       4.851  -4.981  -1.461  1.00  0.00           H  
HETATM   63  H   UNL     1       2.745  -5.216  -2.716  1.00  0.00           H  
HETATM   64  H   UNL     1       0.663  -4.255  -1.821  1.00  0.00           H  
HETATM   65  H   UNL     1       1.098  -0.109   1.334  1.00  0.00           H  
HETATM   66  H   UNL     1       4.930   0.929  -2.342  1.00  0.00           H  
HETATM   67  H   UNL     1       3.744   1.838  -1.365  1.00  0.00           H  
HETATM   68  H   UNL     1       7.115   2.082   2.826  1.00  0.00           H  
HETATM   69  H   UNL     1       6.111   3.405   2.174  1.00  0.00           H  
HETATM   70  H   UNL     1       5.155   0.836   2.685  1.00  0.00           H  
HETATM   71  H   UNL     1       4.431   1.944   1.473  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.320   1.945   0.921  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.523   4.178   1.583  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.786   5.992  -1.454  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.371   5.958  -0.353  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.017   1.541  -1.745  1.00  0.00           H  
CONECT    1    9    2    5    5                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   74   75                                       
CONECT    4    3    5                                                 
CONECT    5    1    1    4    6                                       
CONECT    6    5    7    7   76                                       
CONECT    7    6    6   10    8                                       
CONECT    8    7    9    9   72                                       
CONECT    9    1    8    8   73                                       
CONECT   10    7   13   11   11                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   18                                            
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   17   47                                       
CONECT   16   15   44   45   46                                       
CONECT   17   15   48   49   50                                       
CONECT   18   13   19   53   54                                       
CONECT   19   18   20   21   55                                       
CONECT   20   19   56                                                 
CONECT   21   19   34   22   57                                       
CONECT   22   21   23   65                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26                                                 
CONECT   26   25   27   33   43                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   33   41                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   26   29   32   42                                       
CONECT   34   21   40   58   59                                       
CONECT   35   40   36   36   60                                       
CONECT   36   35   35   37   61                                       
CONECT   37   36   38   38   62                                       
CONECT   38   37   37   39   63                                       
CONECT   39   38   40   40   64                                       
CONECT   40   34   35   39   39                                       
CONECT   41   29                                                      
CONECT   42   33                                                      
CONECT   43   26                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   22                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    6                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
