COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.020  -1.802  -0.150  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.102  -0.704   0.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.094   3.106  -0.038  1.00  0.00           C  
HETATM    4  C   UNL     1       0.748   4.123  -2.018  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.604  -3.150  -1.073  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.050  -1.924  -0.592  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.702  -1.876  -0.434  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.974  -2.935  -0.723  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.665  -2.933  -0.595  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.724  -0.675   0.185  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.932   0.396   0.322  1.00  0.00           N  
HETATM   12  S   UNL     1      -2.270   1.774   0.970  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.312   1.315   1.910  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.396   2.534   1.397  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.466   2.578  -0.446  1.00  0.00           C  
HETATM   16  N   UNL     1       0.851   2.873  -1.188  1.00  0.00           N  
HETATM   17  C   UNL     1       2.212   2.958  -0.552  1.00  0.00           C  
HETATM   18  C   UNL     1       2.694   1.560  -0.275  1.00  0.00           C  
HETATM   19  C   UNL     1       4.025   1.366   0.049  1.00  0.00           C  
HETATM   20  C   UNL     1       4.494   0.096   0.300  1.00  0.00           C  
HETATM   21  C   UNL     1       3.628  -0.984   0.253  1.00  0.00           C  
HETATM   22  O   UNL     1       4.123  -2.228   0.483  1.00  0.00           O  
HETATM   23  C   UNL     1       3.205  -3.203   0.978  1.00  0.00           C  
HETATM   24  C   UNL     1       1.991  -3.242   0.049  1.00  0.00           C  
HETATM   25  N   UNL     1       1.410  -1.887  -0.040  1.00  0.00           N  
HETATM   26  C   UNL     1       2.273  -0.792  -0.036  1.00  0.00           C  
HETATM   27  C   UNL     1       1.835   0.484  -0.351  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.138   4.175   0.146  1.00  0.00           H  
HETATM   29  H   UNL     1       0.283   2.573   0.825  1.00  0.00           H  
HETATM   30  H   UNL     1       1.042   4.984  -1.418  1.00  0.00           H  
HETATM   31  H   UNL     1       1.406   4.040  -2.883  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.281   4.250  -2.356  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.687  -3.053  -1.153  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.186  -3.377  -2.054  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.361  -3.955  -0.380  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.115  -3.827  -0.848  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.235   0.203   0.579  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.890   0.351   0.144  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.089   3.409  -0.786  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.358   1.859  -1.260  1.00  0.00           H  
HETATM   41  H   UNL     1       2.876   3.457  -1.249  1.00  0.00           H  
HETATM   42  H   UNL     1       2.120   3.518   0.371  1.00  0.00           H  
HETATM   43  H   UNL     1       4.695   2.211   0.104  1.00  0.00           H  
HETATM   44  H   UNL     1       5.537  -0.060   0.532  1.00  0.00           H  
HETATM   45  H   UNL     1       3.680  -4.184   0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       2.885  -2.933   1.985  1.00  0.00           H  
HETATM   47  H   UNL     1       2.297  -3.572  -0.940  1.00  0.00           H  
HETATM   48  H   UNL     1       1.252  -3.928   0.459  1.00  0.00           H  
HETATM   49  H   UNL     1       0.827   0.643  -0.701  1.00  0.00           H  
CONECT    1   10   10    9   25                                       
CONECT    2   11    7    7   10                                       
CONECT    3   15   16   28   29                                       
CONECT    4   16   30   31   32                                       
CONECT    5    6   33   34   35                                       
CONECT    6    5    7                                                 
CONECT    7    6    2    2    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8    1   36                                       
CONECT   10    2    1    1   37                                       
CONECT   11   12    2   38                                            
CONECT   12   14   14   13   13                                       
CONECT   12   11   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12    3   39   40                                       
CONECT   16    3    4   17                                            
CONECT   17   16   18   41   42                                       
CONECT   18   17   27   27   19                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   26   26   20   22                                       
CONECT   22   21   23                                                 
CONECT   23   24   22   45   46                                       
CONECT   24   25   23   47   48                                       
CONECT   25    1   26   24                                            
CONECT   26   27   25   21   21                                       
CONECT   27   18   18   26   49                                       
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
