COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.804   0.488   0.371  1.00  0.00           C  
HETATM    2  C   UNL     1       1.627   1.158   0.112  1.00  0.00           C  
HETATM    3  C   UNL     1       1.659   2.443  -0.414  1.00  0.00           C  
HETATM    4  C   UNL     1       2.875   3.058  -0.682  1.00  0.00           C  
HETATM    5  C   UNL     1       4.056   2.394  -0.427  1.00  0.00           C  
HETATM    6  C   UNL     1       4.028   1.103   0.103  1.00  0.00           C  
HETATM    7  C   UNL     1       5.253   0.411   0.370  1.00  0.00           C  
HETATM    8  C   UNL     1       6.257  -0.156   0.590  1.00  0.00           C  
HETATM    9  C   UNL     1       7.516  -0.868   0.865  1.00  0.00           C  
HETATM   10  C   UNL     1       8.703   0.023   0.484  1.00  0.00           C  
HETATM   11  N   UNL     1       9.501  -0.646  -0.552  1.00  0.00           N  
HETATM   12  C   UNL     1      10.054  -1.914  -0.056  1.00  0.00           C  
HETATM   13  C   UNL     1       8.906  -2.859   0.309  1.00  0.00           C  
HETATM   14  C   UNL     1       7.574  -2.152   0.029  1.00  0.00           C  
HETATM   15  C   UNL     1       7.524  -1.773  -1.456  1.00  0.00           C  
HETATM   16  C   UNL     1       8.711  -0.858  -1.773  1.00  0.00           C  
HETATM   17  O   UNL     1       7.589  -1.193   2.254  1.00  0.00           O  
HETATM   18  O   UNL     1       0.497   3.099  -0.668  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.669   2.466  -0.380  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.243   2.610   0.878  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.425   1.969   1.174  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.048   1.174   0.209  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.468   1.033  -1.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.288   1.681  -1.345  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.315   0.485   0.522  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.818   0.609   1.622  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.914  -0.281  -0.410  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.172  -0.965  -0.099  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.318  -2.190  -0.997  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.483  -3.061  -0.534  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.809  -2.352  -0.815  1.00  0.00           C  
HETATM   32  S   UNL     1      -8.885  -0.826   0.168  1.00  0.00           S  
HETATM   33  O   UNL     1      -8.796  -1.167   1.545  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.983  -0.047  -0.286  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.342  -0.006  -0.328  1.00  0.00           C  
HETATM   36  H   UNL     1       2.779  -0.509   0.784  1.00  0.00           H  
HETATM   37  H   UNL     1       0.680   0.682   0.319  1.00  0.00           H  
HETATM   38  H   UNL     1       2.895   4.057  -1.092  1.00  0.00           H  
HETATM   39  H   UNL     1       5.001   2.873  -0.636  1.00  0.00           H  
HETATM   40  H   UNL     1       8.335   0.975   0.102  1.00  0.00           H  
HETATM   41  H   UNL     1       9.322   0.199   1.364  1.00  0.00           H  
HETATM   42  H   UNL     1       6.741  -2.806   0.289  1.00  0.00           H  
HETATM   43  H   UNL     1       7.562  -0.425   2.840  1.00  0.00           H  
HETATM   44  H   UNL     1      10.668  -2.371  -0.832  1.00  0.00           H  
HETATM   45  H   UNL     1      10.664  -1.724   0.827  1.00  0.00           H  
HETATM   46  H   UNL     1       8.344   0.101  -2.139  1.00  0.00           H  
HETATM   47  H   UNL     1       9.336  -1.324  -2.534  1.00  0.00           H  
HETATM   48  H   UNL     1       8.973  -3.765  -0.293  1.00  0.00           H  
HETATM   49  H   UNL     1       8.968  -3.116   1.367  1.00  0.00           H  
HETATM   50  H   UNL     1       7.586  -2.674  -2.066  1.00  0.00           H  
HETATM   51  H   UNL     1       6.593  -1.249  -1.668  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.761   3.224   1.624  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.841   1.576  -2.323  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.870   2.080   2.152  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.946   0.419  -1.804  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.513  -0.380  -1.288  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.163  -1.280   0.944  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.498  -1.865  -2.022  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.398  -2.773  -0.962  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.198   0.894   0.270  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.394   0.261  -1.384  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.459  -4.010  -1.068  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.392  -3.247   0.536  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.874  -2.106  -1.875  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.637  -3.005  -0.539  1.00  0.00           H  
CONECT    1    2    6    6   36                                       
CONECT    2    1    3    3   37                                       
CONECT    3    2    2    4   18                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8    8                                       
CONECT    8    7    7    7    9                                       
CONECT    9    8   10   14   17                                       
CONECT   10    9   11   40   41                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   48   49                                       
CONECT   14    9   13   15   42                                       
CONECT   15   14   16   50   51                                       
CONECT   16   11   15   46   47                                       
CONECT   17    9   43                                                 
CONECT   18    3   19                                                 
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   22   54                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   55                                       
CONECT   24   19   19   23   53                                       
CONECT   25   22   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   56                                            
CONECT   28   27   29   35   57                                       
CONECT   29   28   30   58   59                                       
CONECT   30   29   31   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   31   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   28   32   60   61                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   20                                                      
CONECT   53   24                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
