COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.924   1.832  -0.696  1.00  0.00           C  
HETATM    2  C   UNL     1       0.235  -0.697  -0.074  1.00  0.00           C  
HETATM    3  O   UNL     1       0.098  -0.720  -1.279  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.971   2.077  -1.565  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.832   1.054  -1.916  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.646  -0.214  -1.398  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.599  -0.459  -0.529  1.00  0.00           C  
HETATM    8  N   UNL     1       1.442  -0.427   0.462  1.00  0.00           N  
HETATM    9  C   UNL     1       2.563  -0.058  -0.406  1.00  0.00           C  
HETATM   10  C   UNL     1       3.191  -1.324  -0.993  1.00  0.00           C  
HETATM   11  O   UNL     1       3.780  -2.095   0.056  1.00  0.00           O  
HETATM   12  C   UNL     1       3.004   2.002   0.936  1.00  0.00           C  
HETATM   13  C   UNL     1       2.663   2.952  -0.235  1.00  0.00           C  
HETATM   14  C   UNL     1       3.001   4.333   0.370  1.00  0.00           C  
HETATM   15  C   UNL     1       0.162  -1.756   3.504  1.00  0.00           C  
HETATM   16  C   UNL     1       0.349  -2.581   2.229  1.00  0.00           C  
HETATM   17  C   UNL     1       0.514  -4.057   2.596  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.877  -2.412   1.329  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.944  -0.970   0.823  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.186  -0.774   0.071  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.308  -0.390   0.712  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.314  -0.296   1.923  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.423  -0.112   0.009  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.594   0.295   0.765  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.735   0.562  -0.183  1.00  0.00           C  
HETATM   26  C   UNL     1       3.612   0.700   0.410  1.00  0.00           C  
HETATM   27  N   UNL     1       4.003   4.070   1.410  1.00  0.00           N  
HETATM   28  C   UNL     1       4.021   2.768   1.754  1.00  0.00           C  
HETATM   29  O   UNL     1       4.748   2.282   2.594  1.00  0.00           O  
HETATM   30  S   UNL     1       4.470  -0.863  -2.194  1.00  0.00           S  
HETATM   31  H   UNL     1      -6.252   2.631  -0.421  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.116   3.068  -1.969  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.650   1.246  -2.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.319  -1.013  -1.673  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.454  -1.450  -0.125  1.00  0.00           H  
HETATM   36  H   UNL     1       1.568  -0.477   1.422  1.00  0.00           H  
HETATM   37  H   UNL     1       2.203   0.577  -1.215  1.00  0.00           H  
HETATM   38  H   UNL     1       2.422  -1.914  -1.490  1.00  0.00           H  
HETATM   39  H   UNL     1       3.152  -2.377   0.736  1.00  0.00           H  
HETATM   40  H   UNL     1       2.115   1.794   1.531  1.00  0.00           H  
HETATM   41  H   UNL     1       3.289   2.742  -1.103  1.00  0.00           H  
HETATM   42  H   UNL     1       1.606   2.887  -0.494  1.00  0.00           H  
HETATM   43  H   UNL     1       3.416   4.988  -0.396  1.00  0.00           H  
HETATM   44  H   UNL     1       2.109   4.781   0.807  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.683  -2.148   4.070  1.00  0.00           H  
HETATM   46  H   UNL     1       1.065  -1.817   4.112  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.028  -0.716   3.240  1.00  0.00           H  
HETATM   48  H   UNL     1       1.238  -2.236   1.700  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.375  -4.401   3.124  1.00  0.00           H  
HETATM   50  H   UNL     1       0.647  -4.644   1.687  1.00  0.00           H  
HETATM   51  H   UNL     1       1.387  -4.177   3.237  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.800  -3.092   0.480  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.779  -2.641   1.897  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.921  -0.286   1.672  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.201  -0.920  -0.888  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.874  -0.500   1.456  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.367   1.202   1.326  1.00  0.00           H  
HETATM   58  H   UNL     1       3.934   0.084   1.250  1.00  0.00           H  
HETATM   59  H   UNL     1       4.469   0.929  -0.223  1.00  0.00           H  
HETATM   60  H   UNL     1       4.576   4.747   1.801  1.00  0.00           H  
HETATM   61  O   UNL     1       5.600  -0.207  -1.635  1.00  0.00           O  
HETATM   62  O   UNL     1       4.948  -2.127  -2.894  1.00  0.00           O  
HETATM   63  C   UNL     1       3.831   0.081  -3.250  1.00  0.00           C  
HETATM   64  H   UNL     1       4.239  -2.640  -3.307  1.00  0.00           H  
HETATM   65  H   UNL     1       2.809   0.409  -3.133  1.00  0.00           H  
HETATM   66  H   UNL     1       4.409   0.408  -4.102  1.00  0.00           H  
CONECT    1   25    4    4   31                                       
CONECT    2    8    3    3   19                                       
CONECT    3    2    2                                                 
CONECT    4    1    1    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7   25   25    6   35                                       
CONECT    8    9    2   36                                            
CONECT    9   26   10    8   37                                       
CONECT   10    9   11   30   38                                       
CONECT   11   10   39                                                 
CONECT   12   28   13   26   40                                       
CONECT   13   14   12   41   42                                       
CONECT   14   27   13   43   44                                       
CONECT   15   16   45   46   47                                       
CONECT   16   18   17   15   48                                       
CONECT   17   16   49   50   51                                       
CONECT   18   19   16   52   53                                       
CONECT   19    2   20   18   54                                       
CONECT   20   21   19   55                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   56   57                                       
CONECT   25   24    7    7    1                                       
CONECT   26   12    9   58   59                                       
CONECT   27   14   28   60                                            
CONECT   28   27   29   29   12                                       
CONECT   29   28   28                                                 
CONECT   30   10   61   61   62                                       
CONECT   30   63   63                                                 
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   30   30                                                 
CONECT   62   30   64                                                 
CONECT   63   30   30   65   66                                       
CONECT   64   62                                                      
CONECT   65   63                                                      
CONECT   66   63                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
