COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.299   2.998  -0.242  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.314   1.623  -0.380  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.668   0.827   0.547  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.004   1.403   1.614  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.987   2.777   1.757  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.187  -0.590  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1       0.209  -1.081   0.164  1.00  0.00           C  
HETATM    8  C   UNL     1       5.647   1.419  -0.021  1.00  0.00           C  
HETATM    9  C   UNL     1       5.338   2.825  -0.584  1.00  0.00           C  
HETATM   10  C   UNL     1       6.681   3.555  -0.350  1.00  0.00           C  
HETATM   11  O   UNL     1       7.699   2.555  -0.206  1.00  0.00           O  
HETATM   12  C   UNL     1       7.124   1.245  -0.425  1.00  0.00           C  
HETATM   13  O   UNL     1       7.241   0.985  -1.825  1.00  0.00           O  
HETATM   14  C   UNL     1       6.474  -0.107  -2.325  1.00  0.00           C  
HETATM   15  C   UNL     1       4.988   0.213  -2.118  1.00  0.00           C  
HETATM   16  C   UNL     1       4.746   0.354  -0.605  1.00  0.00           C  
HETATM   17  O   UNL     1       3.362   0.729  -0.377  1.00  0.00           O  
HETATM   18  C   UNL     1       2.475  -0.272  -0.221  1.00  0.00           C  
HETATM   19  O   UNL     1       2.847  -1.427  -0.274  1.00  0.00           O  
HETATM   20  N   UNL     1       1.174   0.008  -0.006  1.00  0.00           N  
HETATM   21  C   UNL     1       0.202  -1.533   1.625  1.00  0.00           C  
HETATM   22  C   UNL     1       1.541  -2.130   1.973  1.00  0.00           C  
HETATM   23  C   UNL     1       1.764  -3.482   1.791  1.00  0.00           C  
HETATM   24  C   UNL     1       2.993  -4.030   2.109  1.00  0.00           C  
HETATM   25  C   UNL     1       3.999  -3.225   2.610  1.00  0.00           C  
HETATM   26  C   UNL     1       3.777  -1.872   2.791  1.00  0.00           C  
HETATM   27  C   UNL     1       2.549  -1.324   2.468  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.604   0.429   0.685  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.173  -1.759  -0.168  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.474  -1.326  -0.683  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.700  -1.248  -2.129  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.153  -2.614  -2.649  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.505  -2.503  -4.134  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.024  -3.629  -2.467  1.00  0.00           C  
HETATM   35  S   UNL     1      -4.690  -0.926   0.367  1.00  0.00           S  
HETATM   36  O   UNL     1      -4.321  -1.463   1.630  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.909  -1.247  -0.288  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.630   3.579   0.826  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.614   4.931   0.964  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.297   5.693  -0.033  1.00  0.00           C  
HETATM   41  H   UNL     1      -5.804   3.620  -0.966  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.832   1.171  -1.213  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.500   0.779   2.337  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.469   3.227   2.592  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.162  -0.186  -1.237  1.00  0.00           H  
HETATM   46  H   UNL     1       0.490  -1.918  -0.475  1.00  0.00           H  
HETATM   47  H   UNL     1       5.558   1.427   1.065  1.00  0.00           H  
HETATM   48  H   UNL     1       5.099   2.776  -1.647  1.00  0.00           H  
HETATM   49  H   UNL     1       4.532   3.301  -0.026  1.00  0.00           H  
HETATM   50  H   UNL     1       6.909   4.193  -1.204  1.00  0.00           H  
HETATM   51  H   UNL     1       6.622   4.156   0.557  1.00  0.00           H  
HETATM   52  H   UNL     1       7.617   0.483   0.179  1.00  0.00           H  
HETATM   53  H   UNL     1       6.677  -0.243  -3.387  1.00  0.00           H  
HETATM   54  H   UNL     1       6.733  -1.016  -1.782  1.00  0.00           H  
HETATM   55  H   UNL     1       4.737   1.144  -2.627  1.00  0.00           H  
HETATM   56  H   UNL     1       4.378  -0.599  -2.513  1.00  0.00           H  
HETATM   57  H   UNL     1       4.941  -0.602  -0.120  1.00  0.00           H  
HETATM   58  H   UNL     1       0.877   0.930   0.037  1.00  0.00           H  
HETATM   59  H   UNL     1       0.008  -0.676   2.270  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.578  -2.281   1.770  1.00  0.00           H  
HETATM   61  H   UNL     1       0.978  -4.111   1.400  1.00  0.00           H  
HETATM   62  H   UNL     1       3.166  -5.086   1.968  1.00  0.00           H  
HETATM   63  H   UNL     1       4.959  -3.652   2.859  1.00  0.00           H  
HETATM   64  H   UNL     1       4.563  -1.244   3.182  1.00  0.00           H  
HETATM   65  H   UNL     1       2.377  -0.267   2.606  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.585   0.160   1.614  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.797  -2.582  -0.775  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.283  -2.091   0.865  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.471  -0.506  -2.336  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.774  -0.959  -2.626  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.030  -2.942  -2.091  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.628  -2.174  -4.691  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.828  -3.476  -4.504  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.309  -1.779  -4.264  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.865  -3.810  -1.403  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.293  -4.564  -2.958  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.108  -3.238  -2.909  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.855   5.494  -1.009  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.350   5.413  -0.047  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.206   6.755   0.197  1.00  0.00           H  
CONECT    1   38    2    2   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    4    4    2   35                                       
CONECT    4    5    3    3   43                                       
CONECT    5   38   38    4   44                                       
CONECT    6   29   28    7   45                                       
CONECT    7   21    6   20   46                                       
CONECT    8   16    9   12   47                                       
CONECT    9   10    8   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12                                                 
CONECT   12    8   11   13   52                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   53   54                                       
CONECT   15   16   14   55   56                                       
CONECT   16   17   15    8   57                                       
CONECT   17   18   16                                                 
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20    7   18   58                                            
CONECT   21   22    7   59   60                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   61                                       
CONECT   24   23   25   25   62                                       
CONECT   25   24   24   26   63                                       
CONECT   26   27   27   25   64                                       
CONECT   27   22   26   26   65                                       
CONECT   28    6   66                                                 
CONECT   29   30    6   67   68                                       
CONECT   30   35   31   29                                            
CONECT   31   30   32   69   70                                       
CONECT   32   31   33   34   71                                       
CONECT   33   32   72   73   74                                       
CONECT   34   32   75   76   77                                       
CONECT   35    3   36   36   37                                       
CONECT   35   37   30                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   39    5    5    1                                       
CONECT   39   40   38                                                 
CONECT   40   39   78   79   80                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
