COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.176  -2.767  -2.543  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.650   1.175  -0.294  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.320   0.938   0.020  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.571   0.137  -0.254  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.164  -1.143   0.098  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.761   3.657   1.805  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.917   3.383   0.434  1.00  0.00           S  
HETATM    8  O   UNL     1      -3.986   2.541   0.844  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.165   4.598  -0.260  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.064   2.462  -0.647  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.094  -2.185   0.138  1.00  0.00           N  
HETATM   12  S   UNL     1      -4.188  -2.366  -1.092  1.00  0.00           S  
HETATM   13  O   UNL     1      -4.773  -1.079  -1.232  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.970  -3.487  -0.703  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.834  -1.390   0.408  1.00  0.00           C  
HETATM   16  C   UNL     1       0.093  -0.348   0.372  1.00  0.00           C  
HETATM   17  C   UNL     1       1.510  -0.606   0.702  1.00  0.00           C  
HETATM   18  C   UNL     1       2.492  -0.125  -0.114  1.00  0.00           C  
HETATM   19  N   UNL     1       1.825  -1.320   1.826  1.00  0.00           N  
HETATM   20  O   UNL     1       0.786  -1.802   2.658  1.00  0.00           O  
HETATM   21  C   UNL     1       3.106  -1.571   2.153  1.00  0.00           C  
HETATM   22  O   UNL     1       3.362  -2.211   3.161  1.00  0.00           O  
HETATM   23  C   UNL     1       4.147  -1.102   1.341  1.00  0.00           C  
HETATM   24  C   UNL     1       3.843  -0.371   0.200  1.00  0.00           C  
HETATM   25  C   UNL     1       4.924   0.137  -0.677  1.00  0.00           C  
HETATM   26  C   UNL     1       5.128   1.510  -0.813  1.00  0.00           C  
HETATM   27  C   UNL     1       6.136   1.977  -1.631  1.00  0.00           C  
HETATM   28  C   UNL     1       6.944   1.087  -2.315  1.00  0.00           C  
HETATM   29  C   UNL     1       6.746  -0.276  -2.185  1.00  0.00           C  
HETATM   30  C   UNL     1       5.745  -0.755  -1.365  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.620  -3.685  -2.355  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.822  -2.905  -3.409  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.478  -1.952  -2.736  1.00  0.00           H  
HETATM   34  H   UNL     1       0.395   1.747  -0.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.607   0.326  -0.494  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.401   2.697   2.174  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.917   4.252   1.456  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.271   4.187   2.609  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.852   2.816  -1.525  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.099  -2.802   0.886  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.518  -2.385   0.681  1.00  0.00           H  
HETATM   42  H   UNL     1       2.235   0.441  -0.997  1.00  0.00           H  
HETATM   43  H   UNL     1       1.097  -2.296   3.430  1.00  0.00           H  
HETATM   44  H   UNL     1       5.175  -1.303   1.603  1.00  0.00           H  
HETATM   45  H   UNL     1       4.497   2.206  -0.280  1.00  0.00           H  
HETATM   46  H   UNL     1       6.294   3.040  -1.737  1.00  0.00           H  
HETATM   47  H   UNL     1       7.732   1.457  -2.954  1.00  0.00           H  
HETATM   48  H   UNL     1       7.380  -0.966  -2.722  1.00  0.00           H  
HETATM   49  H   UNL     1       5.595  -1.820  -1.260  1.00  0.00           H  
CONECT    1   12   31   32   33                                       
CONECT    2    3    3    4   10                                       
CONECT    3   16    2    2   34                                       
CONECT    4    5    5    2   35                                       
CONECT    5   15   11    4    4                                       
CONECT    6    7   36   37   38                                       
CONECT    7   10    6    8    8                                       
CONECT    7    9    9                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    2    7   39                                            
CONECT   11    5   12   40                                            
CONECT   12   11   13   13   14                                       
CONECT   12   14    1                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   16    5   41                                       
CONECT   16   17   15   15    3                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17   24   42                                       
CONECT   19   20   21   17                                            
CONECT   20   19   43                                                 
CONECT   21   22   22   19   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   24   44                                       
CONECT   24   23   23   18   25                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   45                                       
CONECT   27   26   26   28   46                                       
CONECT   28   29   29   27   47                                       
CONECT   29   30   28   28   48                                       
CONECT   30   25   25   29   49                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
