COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.880  -0.577   0.883  1.00  0.00           O  
HETATM    2  C   UNL     1       1.619   0.224   0.010  1.00  0.00           C  
HETATM    3  C   UNL     1       2.708   0.727  -0.901  1.00  0.00           C  
HETATM    4  C   UNL     1       4.018   0.086  -0.521  1.00  0.00           C  
HETATM    5  C   UNL     1       4.488  -1.058  -1.022  1.00  0.00           C  
HETATM    6  C   UNL     1       5.716  -1.452  -0.521  1.00  0.00           C  
HETATM    7  C   UNL     1       6.244  -0.630   0.387  1.00  0.00           C  
HETATM    8  S   UNL     1       5.163   0.733   0.646  1.00  0.00           S  
HETATM    9  N   UNL     1       0.353   0.660  -0.148  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.707   0.166   0.735  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.582   1.341   1.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.789   2.270   0.025  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.550   1.924  -0.973  1.00  0.00           C  
HETATM   14  B   UNL     1      -1.603  -0.862  -0.044  1.00  0.00           B  
HETATM   15  O   UNL     1      -1.708  -2.200   0.420  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.311  -0.460  -1.210  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.259   0.592  -0.978  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.938   0.376   0.376  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.178  -0.459   0.188  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.939  -0.778   1.247  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.488  -0.842  -0.915  1.00  0.00           O  
HETATM   22  H   UNL     1       2.465   0.473  -1.933  1.00  0.00           H  
HETATM   23  H   UNL     1       2.792   1.810  -0.804  1.00  0.00           H  
HETATM   24  H   UNL     1       3.951  -1.632  -1.763  1.00  0.00           H  
HETATM   25  H   UNL     1       6.210  -2.358  -0.841  1.00  0.00           H  
HETATM   26  H   UNL     1       7.191  -0.777   0.884  1.00  0.00           H  
HETATM   27  H   UNL     1       0.144   1.301  -0.846  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.262  -0.320   1.603  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.545   0.967   1.541  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.081   1.876   2.003  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.300   3.233   0.015  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.675   2.599  -1.807  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.281  -2.760  -0.122  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.012   0.583  -1.766  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.252  -0.139   1.049  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.210   1.340   0.804  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.725  -1.315   1.077  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    9    3                                       
CONECT    3    2    4   22   23                                       
CONECT    4    5    5    3    8                                       
CONECT    5    6    4    4   24                                       
CONECT    6    5    7    7   25                                       
CONECT    7    6    6    8   26                                       
CONECT    8    7    4                                                 
CONECT    9   10    2   27                                            
CONECT   10   14   11    9   28                                       
CONECT   11   10   12   29   30                                       
CONECT   12   11   13   13   31                                       
CONECT   13   12   12   17   32                                       
CONECT   14   15   10   16                                            
CONECT   15   14   33                                                 
CONECT   16   14   17                                                 
CONECT   17   16   13   18   34                                       
CONECT   18   17   19   35   36                                       
CONECT   19   18   21   21   20                                       
CONECT   20   19   37                                                 
CONECT   21   19   19                                                 
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
