COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.898  -1.621  -0.973  1.00  0.00           C  
HETATM    2  C   UNL     1       0.915  -0.138  -1.355  1.00  0.00           C  
HETATM    3  C   UNL     1       4.205   1.160  -0.687  1.00  0.00           C  
HETATM    4  C   UNL     1       6.389   0.369   0.800  1.00  0.00           C  
HETATM    5  C   UNL     1       6.036  -0.264   1.986  1.00  0.00           C  
HETATM    6  C   UNL     1       6.712  -1.399   2.388  1.00  0.00           C  
HETATM    7  C   UNL     1       7.738  -1.906   1.612  1.00  0.00           C  
HETATM    8  C   UNL     1       8.092  -1.279   0.432  1.00  0.00           C  
HETATM    9  C   UNL     1       7.421  -0.144   0.023  1.00  0.00           C  
HETATM   10  C   UNL     1       2.970   0.804  -0.244  1.00  0.00           C  
HETATM   11  C   UNL     1       0.078   0.649  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.341   0.074  -0.308  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.979   0.249   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.912   0.806   1.805  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.324   0.254   1.582  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.785   0.621   0.168  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.780   0.072  -0.847  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.202   0.485  -2.258  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.552  -2.110  -0.915  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.579  -3.576  -0.476  1.00  0.00           C  
HETATM   21  N   UNL     1       2.295   0.356  -1.339  1.00  0.00           N  
HETATM   22  N   UNL     1       3.077   0.441  -2.357  1.00  0.00           N  
HETATM   23  N   UNL     1       4.218   0.919  -2.006  1.00  0.00           N  
HETATM   24  O   UNL     1       1.511  -1.792   0.307  1.00  0.00           O  
HETATM   25  O   UNL     1       6.455   2.409  -0.769  1.00  0.00           O  
HETATM   26  O   UNL     1       0.028   2.023  -0.728  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.442   0.408   3.095  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.217   0.826   2.540  1.00  0.00           O  
HETATM   29  O   UNL     1      -8.073   0.051  -0.076  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.330  -0.122  -3.214  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.483   0.600  -0.564  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.283  -1.315   0.023  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.920  -4.065  -0.535  1.00  0.00           O  
HETATM   34  S   UNL     1       5.525   1.814   0.279  1.00  0.00           S1+
HETATM   35  S   UNL     1      -2.320   0.953   0.940  1.00  0.00           S  
HETATM   36  H   UNL     1       1.447  -2.196  -1.719  1.00  0.00           H  
HETATM   37  H   UNL     1       0.493  -0.013  -2.352  1.00  0.00           H  
HETATM   38  H   UNL     1       5.235   0.132   2.592  1.00  0.00           H  
HETATM   39  H   UNL     1       6.438  -1.892   3.309  1.00  0.00           H  
HETATM   40  H   UNL     1       8.265  -2.794   1.930  1.00  0.00           H  
HETATM   41  H   UNL     1       8.895  -1.677  -0.171  1.00  0.00           H  
HETATM   42  H   UNL     1       7.695   0.343  -0.901  1.00  0.00           H  
HETATM   43  H   UNL     1       2.600   0.865   0.768  1.00  0.00           H  
HETATM   44  H   UNL     1       0.528   0.564   0.647  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.805   0.195  -1.287  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.928  -0.836   0.815  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.931   1.894   1.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.313  -0.830   1.694  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.843   1.705   0.074  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.752  -1.016  -0.780  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.226   0.159  -2.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.145   1.569  -2.352  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.006  -2.017  -1.902  1.00  0.00           H  
HETATM   54  H   UNL     1       0.053  -4.166  -1.140  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.207  -3.656   0.545  1.00  0.00           H  
HETATM   56  H   UNL     1       1.533  -2.709   0.614  1.00  0.00           H  
HETATM   57  H   UNL     1       7.249   2.820  -0.402  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.487   2.582  -0.130  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.550   0.719   3.302  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.980   0.639   3.459  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.759   0.352   0.535  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.540   0.096  -4.132  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.013  -4.990  -0.269  1.00  0.00           H  
CONECT    1    2   19   24   36                                       
CONECT    2   11   21    1   37                                       
CONECT    3   23   10   10   34                                       
CONECT    4    5    5    9   34                                       
CONECT    5    6    4    4   38                                       
CONECT    6    7    7    5   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8    4   42                                       
CONECT   10   21    3    3   43                                       
CONECT   11   26    2   12   44                                       
CONECT   12   11   35   32   45                                       
CONECT   13   31   35   14   46                                       
CONECT   14   13   15   27   47                                       
CONECT   15   16   14   28   48                                       
CONECT   16   17   29   15   49                                       
CONECT   17   18   31   16   50                                       
CONECT   18   30   17   51   52                                       
CONECT   19    1   32   20   53                                       
CONECT   20   19   33   54   55                                       
CONECT   21   22    2   10                                            
CONECT   22   23   23   21                                            
CONECT   23   22   22    3                                            
CONECT   24    1   56                                                 
CONECT   25   34   57                                                 
CONECT   26   11   58                                                 
CONECT   27   14   59                                                 
CONECT   28   15   60                                                 
CONECT   29   16   61                                                 
CONECT   30   18   62                                                 
CONECT   31   17   13                                                 
CONECT   32   12   19                                                 
CONECT   33   20   63                                                 
CONECT   34    3    4   25                                            
CONECT   35   12   13                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
