COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.328  -0.191  -1.079  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.225   0.220  -0.082  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.597   0.021  -0.263  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.057  -0.586  -1.410  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.168  -0.997  -2.390  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.811  -0.802  -2.229  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.726   0.870   1.143  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.532   1.041   1.297  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.592   1.273   2.093  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.112   1.897   3.270  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.853  -1.253  -3.302  1.00  0.00           C  
HETATM   12  N   UNL     1       0.036   0.006  -0.914  1.00  0.00           N  
HETATM   13  S   UNL     1       0.959  -1.157  -0.181  1.00  0.00           S  
HETATM   14  C   UNL     1       0.660   1.243  -1.389  1.00  0.00           C  
HETATM   15  C   UNL     1       0.722   1.182  -5.162  1.00  0.00           C  
HETATM   16  C   UNL     1       2.005   0.709  -5.360  1.00  0.00           C  
HETATM   17  N   UNL     1       2.788   0.431  -4.336  1.00  0.00           N  
HETATM   18  C   UNL     1       2.385   0.598  -3.091  1.00  0.00           C  
HETATM   19  C   UNL     1       1.113   1.062  -2.815  1.00  0.00           C  
HETATM   20  C   UNL     1       0.262   1.365  -3.867  1.00  0.00           C  
HETATM   21  C   UNL     1       0.968  -0.810   1.546  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.002  -1.357   2.365  1.00  0.00           C  
HETATM   23  C   UNL     1       0.003  -1.087   3.719  1.00  0.00           C  
HETATM   24  C   UNL     1       0.983  -0.266   4.258  1.00  0.00           C  
HETATM   25  C   UNL     1       1.952   0.285   3.433  1.00  0.00           C  
HETATM   26  C   UNL     1       1.946   0.007   2.080  1.00  0.00           C  
HETATM   27  O   UNL     1       0.990   0.000   5.590  1.00  0.00           O  
HETATM   28  C   UNL     1       2.105   0.861   5.833  1.00  0.00           C  
HETATM   29  O   UNL     1       2.289  -0.933  -0.627  1.00  0.00           O  
HETATM   30  O   UNL     1       0.236  -2.371  -0.327  1.00  0.00           O  
HETATM   31  H   UNL     1      -4.294   0.340   0.497  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.117  -0.743  -1.546  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.539  -1.472  -3.286  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.545   1.137   1.971  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.886   2.105   3.812  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.545  -2.280  -3.105  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.345  -1.201  -4.273  1.00  0.00           H  
HETATM   38  H   UNL     1       0.022  -0.604  -3.302  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.063   2.057  -1.339  1.00  0.00           H  
HETATM   40  H   UNL     1       1.519   1.481  -0.762  1.00  0.00           H  
HETATM   41  H   UNL     1       0.086   1.407  -6.005  1.00  0.00           H  
HETATM   42  H   UNL     1       2.371   0.563  -6.366  1.00  0.00           H  
HETATM   43  H   UNL     1       3.055   0.360  -2.277  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.735   1.733  -3.681  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.764  -1.996   1.945  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.754  -1.515   4.359  1.00  0.00           H  
HETATM   47  H   UNL     1       2.717   0.924   3.850  1.00  0.00           H  
HETATM   48  H   UNL     1       2.704   0.432   1.438  1.00  0.00           H  
HETATM   49  H   UNL     1       2.152   1.104   6.894  1.00  0.00           H  
HETATM   50  H   UNL     1       3.025   0.358   5.534  1.00  0.00           H  
HETATM   51  H   UNL     1       1.989   1.778   5.255  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    1    5    5   11                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   34                                            
CONECT   10    9   35                                                 
CONECT   11    6   36   37   38                                       
CONECT   12    1   13   14                                            
CONECT   13   12   21   29   29                                       
CONECT   13   30   30                                                 
CONECT   14   12   19   39   40                                       
CONECT   15   16   16   20   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   43                                       
CONECT   19   14   18   20   20                                       
CONECT   20   15   19   19   44                                       
CONECT   21   13   22   22   26                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   27                                       
CONECT   25   24   26   26   47                                       
CONECT   26   21   25   25   48                                       
CONECT   27   24   28                                                 
CONECT   28   27   49   50   51                                       
CONECT   29   13   13                                                 
CONECT   30   13   13                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
