COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.461   1.449  -0.533  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.632   2.373  -0.315  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.595   0.250   0.304  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.185  -1.035  -0.851  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.613  -1.211   0.341  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.187  -1.242   0.485  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.627  -1.355  -0.877  1.00  0.00           C  
HETATM    8  C   UNL     1       0.747  -1.445  -0.233  1.00  0.00           C  
HETATM    9  C   UNL     1       1.522  -0.138  -0.063  1.00  0.00           C  
HETATM   10  C   UNL     1       3.999   0.413  -0.034  1.00  0.00           C  
HETATM   11  C   UNL     1       3.757   1.768   0.088  1.00  0.00           C  
HETATM   12  C   UNL     1       4.838   2.643   0.154  1.00  0.00           C  
HETATM   13  C   UNL     1       7.177  -1.111  -0.205  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -1.967   0.983  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.220   1.028  -1.644  1.00  0.00           O  
HETATM   16  N   UNL     1      -6.678   1.097   0.506  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.247  -0.251  -0.840  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.400  -2.059   0.624  1.00  0.00           C  
HETATM   19  C   UNL     1       1.750  -2.409  -0.888  1.00  0.00           C  
HETATM   20  C   UNL     1       3.085  -1.946  -0.247  1.00  0.00           C  
HETATM   21  N   UNL     1       2.955  -0.482  -0.108  1.00  0.00           N  
HETATM   22  C   UNL     1       4.594   4.124   0.289  1.00  0.00           C  
HETATM   23  N   UNL     1       6.071   2.186   0.100  1.00  0.00           N  
HETATM   24  C   UNL     1       6.320   0.877  -0.018  1.00  0.00           C  
HETATM   25  N   UNL     1       7.451   0.183  -0.093  1.00  0.00           N  
HETATM   26  N   UNL     1       5.878  -1.287  -0.206  1.00  0.00           N  
HETATM   27  N   UNL     1       5.292  -0.021  -0.087  1.00  0.00           N  
HETATM   28  S   UNL     1      -4.523  -0.278   1.527  1.00  0.00           S  
HETATM   29  H   UNL     1      -8.309   3.406  -0.443  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.414   2.144  -1.038  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.019   2.236   0.695  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.815  -1.503  -1.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.924  -2.265  -1.397  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.766  -0.458  -1.481  1.00  0.00           H  
HETATM   35  H   UNL     1       1.278   0.549  -0.874  1.00  0.00           H  
HETATM   36  H   UNL     1       1.279   0.318   0.897  1.00  0.00           H  
HETATM   37  H   UNL     1       2.745   2.142   0.132  1.00  0.00           H  
HETATM   38  H   UNL     1       7.911  -1.898  -0.283  1.00  0.00           H  
HETATM   39  H   UNL     1       0.382  -1.581   1.928  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.122  -3.050   0.987  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.871   1.434   1.395  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.460  -2.451   1.640  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.363  -2.888  -0.083  1.00  0.00           H  
HETATM   44  H   UNL     1       1.527  -3.443  -0.624  1.00  0.00           H  
HETATM   45  H   UNL     1       1.769  -2.279  -1.970  1.00  0.00           H  
HETATM   46  H   UNL     1       3.216  -2.408   0.732  1.00  0.00           H  
HETATM   47  H   UNL     1       3.923  -2.193  -0.897  1.00  0.00           H  
HETATM   48  H   UNL     1       4.547   4.390   1.345  1.00  0.00           H  
HETATM   49  H   UNL     1       5.408   4.671  -0.188  1.00  0.00           H  
HETATM   50  H   UNL     1       3.652   4.383  -0.194  1.00  0.00           H  
CONECT    1    2   16   15   15                                       
CONECT    2    1   29   30   31                                       
CONECT    3   16   17   17   28                                       
CONECT    4   17    5    5   32                                       
CONECT    5    4    4   28   18                                       
CONECT    6   18   14    7                                            
CONECT    7    6    8   33   34                                       
CONECT    8   14    7    9   19                                       
CONECT    9    8   21   35   36                                       
CONECT   10   11   11   21   27                                       
CONECT   11   12   10   10   37                                       
CONECT   12   22   11   23   23                                       
CONECT   13   26   26   25   38                                       
CONECT   14    6    8   39   40                                       
CONECT   15    1    1                                                 
CONECT   16    1    3   41                                            
CONECT   17    3    3    4                                            
CONECT   18    5    6   42   43                                       
CONECT   19    8   20   44   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21    9   20   10                                            
CONECT   22   12   48   49   50                                       
CONECT   23   12   12   24                                            
CONECT   24   23   27   25   25                                       
CONECT   25   24   24   13                                            
CONECT   26   27   13   13                                            
CONECT   27   10   24   26                                            
CONECT   28    3    5                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
