COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.400   0.066   0.654  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.412   1.881  -0.553  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.582  -0.644   0.572  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.588   1.161  -0.641  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.311   1.332   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.674  -0.097  -0.075  1.00  0.00           C  
HETATM    7  C   UNL     1       3.145   0.942  -0.843  1.00  0.00           C  
HETATM    8  C   UNL     1       2.995   0.604   1.348  1.00  0.00           C  
HETATM    9  C   UNL     1       0.066   1.406   0.152  1.00  0.00           C  
HETATM   10  C   UNL     1       5.887  -2.654  -0.048  1.00  0.00           C  
HETATM   11  C   UNL     1       6.597  -1.397   0.493  1.00  0.00           C  
HETATM   12  C   UNL     1       4.445  -2.483  -0.150  1.00  0.00           C  
HETATM   13  C   UNL     1       6.757  -0.414  -0.636  1.00  0.00           C  
HETATM   14  C   UNL     1       4.057  -1.356  -1.132  1.00  0.00           C  
HETATM   15  C   UNL     1       5.605   0.607  -0.690  1.00  0.00           C  
HETATM   16  C   UNL     1       4.228  -0.035  -0.434  1.00  0.00           C  
HETATM   17  C   UNL     1       1.348   2.170   0.360  1.00  0.00           C  
HETATM   18  N   UNL     1       4.036  -0.182   1.019  1.00  0.00           N  
HETATM   19  N   UNL     1       2.483   1.246   0.291  1.00  0.00           N  
HETATM   20  N   UNL     1      -7.082  -0.614   1.153  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.116   2.054   0.174  1.00  0.00           N  
HETATM   22  O   UNL     1       2.924   1.365  -1.957  1.00  0.00           O  
HETATM   23  O   UNL     1       2.567   0.718   2.479  1.00  0.00           O  
HETATM   24  O   UNL     1       0.097   0.208  -0.035  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.882  -0.494  -1.303  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.832  -2.377  -0.038  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.180  -1.007  -0.179  1.00  0.00           S  
HETATM   28  H   UNL     1      -1.546  -0.361   1.160  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.345   2.864  -0.996  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.652  -1.627   1.013  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.441   1.582  -1.153  1.00  0.00           H  
HETATM   32  H   UNL     1       6.285  -2.885  -1.036  1.00  0.00           H  
HETATM   33  H   UNL     1       6.096  -3.489   0.619  1.00  0.00           H  
HETATM   34  H   UNL     1       5.996  -0.949   1.285  1.00  0.00           H  
HETATM   35  H   UNL     1       7.577  -1.669   0.883  1.00  0.00           H  
HETATM   36  H   UNL     1       4.001  -3.418  -0.492  1.00  0.00           H  
HETATM   37  H   UNL     1       4.046  -2.245   0.836  1.00  0.00           H  
HETATM   38  H   UNL     1       7.698   0.120  -0.508  1.00  0.00           H  
HETATM   39  H   UNL     1       6.788  -0.961  -1.578  1.00  0.00           H  
HETATM   40  H   UNL     1       4.705  -1.394  -2.007  1.00  0.00           H  
HETATM   41  H   UNL     1       3.018  -1.477  -1.436  1.00  0.00           H  
HETATM   42  H   UNL     1       5.781   1.375   0.063  1.00  0.00           H  
HETATM   43  H   UNL     1       5.597   1.077  -1.673  1.00  0.00           H  
HETATM   44  H   UNL     1       1.450   2.928  -0.417  1.00  0.00           H  
HETATM   45  H   UNL     1       1.330   2.651   1.337  1.00  0.00           H  
HETATM   46  H   UNL     1       4.558  -0.736   1.620  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.737   0.016   1.805  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.956  -1.015   1.283  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.137   3.021   0.246  1.00  0.00           H  
CONECT    1    5    5    3   28                                       
CONECT    2    5    4    4   29                                       
CONECT    3    1    6    6   30                                       
CONECT    4    2    2    6   31                                       
CONECT    5   21    1    1    2                                       
CONECT    6    3    3    4   27                                       
CONECT    7   16   19   22   22                                       
CONECT    8   18   23   23   19                                       
CONECT    9   17   24   24   21                                       
CONECT   10   11   12   32   33                                       
CONECT   11   10   13   34   35                                       
CONECT   12   10   14   36   37                                       
CONECT   13   11   15   38   39                                       
CONECT   14   12   16   40   41                                       
CONECT   15   13   16   42   43                                       
CONECT   16   15   18   14    7                                       
CONECT   17   19    9   44   45                                       
CONECT   18   16    8   46                                            
CONECT   19    8    7   17                                            
CONECT   20   27   47   48                                            
CONECT   21    9    5   49                                            
CONECT   22    7    7                                                 
CONECT   23    8    8                                                 
CONECT   24    9    9                                                 
CONECT   25   27   27                                                 
CONECT   26   27   27                                                 
CONECT   27    6   20   26   26                                       
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
