COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.914   1.132  -1.027  1.00  0.00           C  
HETATM    2  C   UNL     1       5.070   0.151  -0.193  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.697   1.245  -0.145  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.633   0.790   0.565  1.00  0.00           C  
HETATM    5  C   UNL     1       2.100  -1.239   0.404  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.927   1.713   1.503  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.331   0.082   0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.090  -0.862  -0.487  1.00  0.00           C  
HETATM    9  C   UNL     1       1.123  -1.518  -0.535  1.00  0.00           C  
HETATM   10  C   UNL     1       1.867  -0.303   1.395  1.00  0.00           C  
HETATM   11  C   UNL     1       0.657   0.359   1.452  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.612   0.570  -0.301  1.00  0.00           N  
HETATM   13  N   UNL     1       4.655  -1.189  -0.617  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.838   0.076  -0.476  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.095  -1.399  -1.363  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.833  -1.227  -0.516  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.992  -0.198  -1.103  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.539  -0.523   0.530  1.00  0.00           O  
HETATM   19  S   UNL     1      -3.562   2.293   1.199  1.00  0.00           S  
HETATM   20  S   UNL     1       3.644  -2.085   0.341  1.00  0.00           S  
HETATM   21  O   UNL     1       4.185  -2.032   1.655  1.00  0.00           O  
HETATM   22  O   UNL     1       3.407  -3.302  -0.353  1.00  0.00           O  
HETATM   23  C   UNL     1       6.264   0.605  -1.035  1.00  0.00           C  
HETATM   24  C   UNL     1       6.697   2.004  -0.592  1.00  0.00           C  
HETATM   25  C   UNL     1       7.966   2.408  -1.346  1.00  0.00           C  
HETATM   26  C   UNL     1       5.581   3.004  -0.901  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.433   2.090  -1.055  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.607   0.855  -2.036  1.00  0.00           H  
HETATM   29  H   UNL     1       4.242   0.847  -0.331  1.00  0.00           H  
HETATM   30  H   UNL     1       5.354   0.128   0.859  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.275   2.039   2.300  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.853  -1.081  -1.221  1.00  0.00           H  
HETATM   33  H   UNL     1       1.311  -2.249  -1.307  1.00  0.00           H  
HETATM   34  H   UNL     1       2.633  -0.089   2.126  1.00  0.00           H  
HETATM   35  H   UNL     1       0.476   1.090   2.226  1.00  0.00           H  
HETATM   36  H   UNL     1       4.973  -1.552  -1.458  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.642  -0.457  -1.395  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.816  -1.691  -2.375  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.726  -2.171  -0.922  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.111  -0.934   0.496  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.285  -2.169  -0.484  1.00  0.00           H  
HETATM   42  H   UNL     1       7.091  -0.092  -0.897  1.00  0.00           H  
HETATM   43  H   UNL     1       5.980   0.628  -2.087  1.00  0.00           H  
HETATM   44  H   UNL     1       6.896   2.001   0.479  1.00  0.00           H  
HETATM   45  H   UNL     1       8.274   3.405  -1.031  1.00  0.00           H  
HETATM   46  H   UNL     1       8.761   1.695  -1.126  1.00  0.00           H  
HETATM   47  H   UNL     1       7.767   2.411  -2.417  1.00  0.00           H  
HETATM   48  H   UNL     1       5.382   3.007  -1.973  1.00  0.00           H  
HETATM   49  H   UNL     1       4.677   2.717  -0.364  1.00  0.00           H  
HETATM   50  H   UNL     1       5.889   4.001  -0.586  1.00  0.00           H  
CONECT    1   14    3   27   28                                       
CONECT    2   23   13   29   30                                       
CONECT    3    1   12   12   19                                       
CONECT    4   12    7    6    6                                       
CONECT    5   10   20    9    9                                       
CONECT    6    4    4   19   31                                       
CONECT    7   11    4    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9    5    5    8   33                                       
CONECT   10   11   11    5   34                                       
CONECT   11   10   10    7   35                                       
CONECT   12    3    3    4                                            
CONECT   13   20    2   36                                            
CONECT   14   18   18    1   17                                       
CONECT   15   16   37   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   14   16                                                 
CONECT   18   14   14                                                 
CONECT   19    3    6                                                 
CONECT   20   21   21   22   22                                       
CONECT   20   13    5                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   24    2   42   43                                       
CONECT   24   25   26   23   44                                       
CONECT   25   24   45   46   47                                       
CONECT   26   24   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
