COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.455  -2.300   0.241  1.00  0.00           N  
HETATM    2  C   UNL     1       0.714  -1.561   0.030  1.00  0.00           C  
HETATM    3  C   UNL     1       1.382  -0.995   1.108  1.00  0.00           C  
HETATM    4  C   UNL     1       2.535  -0.266   0.898  1.00  0.00           C  
HETATM    5  C   UNL     1       3.263   0.350   2.065  1.00  0.00           C  
HETATM    6  C   UNL     1       4.768   0.333   1.795  1.00  0.00           C  
HETATM    7  C   UNL     1       5.048   0.874   0.419  1.00  0.00           C  
HETATM    8  O   UNL     1       6.050   1.529   0.225  1.00  0.00           O  
HETATM    9  N   UNL     1       4.199   0.641  -0.599  1.00  0.00           N  
HETATM   10  C   UNL     1       4.501   1.163  -1.933  1.00  0.00           C  
HETATM   11  C   UNL     1       3.028  -0.099  -0.390  1.00  0.00           C  
HETATM   12  C   UNL     1       2.359  -0.663  -1.467  1.00  0.00           C  
HETATM   13  C   UNL     1       1.209  -1.398  -1.258  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.173  -0.404   3.106  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.808  -0.901   1.817  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.769  -0.002   0.798  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.181   1.305   1.009  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.140   2.219  -0.032  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.543   3.501   0.172  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.473   4.389  -0.945  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.686   1.825  -1.283  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.276   0.522  -1.491  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.311  -0.390  -0.453  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.780  -2.049  -0.720  1.00  0.00           S  
HETATM   25  O   UNL     1      -1.318  -2.111  -2.063  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.809  -2.886  -0.213  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.488  -2.963   0.949  1.00  0.00           H  
HETATM   28  H   UNL     1       0.999  -1.124   2.109  1.00  0.00           H  
HETATM   29  H   UNL     1       2.929   1.379   2.199  1.00  0.00           H  
HETATM   30  H   UNL     1       3.050  -0.221   2.968  1.00  0.00           H  
HETATM   31  H   UNL     1       5.275   0.950   2.537  1.00  0.00           H  
HETATM   32  H   UNL     1       5.136  -0.690   1.862  1.00  0.00           H  
HETATM   33  H   UNL     1       5.445   1.708  -1.905  1.00  0.00           H  
HETATM   34  H   UNL     1       4.581   0.336  -2.638  1.00  0.00           H  
HETATM   35  H   UNL     1       3.703   1.835  -2.250  1.00  0.00           H  
HETATM   36  H   UNL     1       2.741  -0.533  -2.469  1.00  0.00           H  
HETATM   37  H   UNL     1       0.688  -1.838  -2.096  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.511   0.418   3.379  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.203  -0.049   3.081  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.082  -1.203   3.842  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.534   1.610   1.983  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.442   4.457  -1.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.102   4.009  -1.751  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.823   5.377  -0.646  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.654   2.537  -2.094  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.923   0.217  -2.465  1.00  0.00           H  
CONECT    1    2   24   27                                            
CONECT    2   13   13    3    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4   11    5    3    3                                       
CONECT    5    6    4   29   30                                       
CONECT    6    7    5   31   32                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   11                                            
CONECT   10    9   33   34   35                                       
CONECT   11    9   12   12    4                                       
CONECT   12   11   11   13   36                                       
CONECT   13   12    2    2   37                                       
CONECT   14   15   38   39   40                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   23   23                                       
CONECT   17   18   18   16   41                                       
CONECT   18   19   17   17   21                                       
CONECT   19   18   20                                                 
CONECT   20   19   42   43   44                                       
CONECT   21   18   22   22   45                                       
CONECT   22   21   21   23   46                                       
CONECT   23   16   16   22   24                                       
CONECT   24    1   23   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
