COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.171  -1.286   2.323  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.842   3.367  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.817   2.503  -0.337  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.067   1.141  -0.447  1.00  0.00           C  
HETATM    5  O   UNL     1       4.424  -2.858  -0.205  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.116   2.877   0.221  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.369   1.522   0.108  1.00  0.00           C  
HETATM    8  C   UNL     1       4.214   0.784  -0.270  1.00  0.00           C  
HETATM    9  C   UNL     1       5.523   1.119   0.039  1.00  0.00           C  
HETATM   10  C   UNL     1       6.461   0.122   0.263  1.00  0.00           C  
HETATM   11  C   UNL     1       6.093  -1.208   0.180  1.00  0.00           C  
HETATM   12  C   UNL     1       4.786  -1.549  -0.128  1.00  0.00           C  
HETATM   13  C   UNL     1       5.446  -3.829   0.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.866  -3.344   0.940  1.00  0.00           C  
HETATM   15  C   UNL     1       7.253   2.699   0.445  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.347   0.652  -0.220  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.739   0.530  -0.375  1.00  0.00           C  
HETATM   18  C   UNL     1       0.754   1.867   0.751  1.00  0.00           C  
HETATM   19  C   UNL     1       1.488  -0.036  -0.309  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.692  -1.825   0.974  1.00  0.00           C  
HETATM   21  C   UNL     1       3.841  -0.550  -0.349  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.031   0.264  -0.785  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.482   1.612   0.357  1.00  0.00           N  
HETATM   24  N   UNL     1       1.738   1.050   0.419  1.00  0.00           N  
HETATM   25  N   UNL     1       0.247  -0.296  -0.706  1.00  0.00           N  
HETATM   26  N   UNL     1       2.517  -0.892  -0.650  1.00  0.00           N  
HETATM   27  O   UNL     1      -6.058  -1.195  -0.086  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.137  -1.430  -1.627  1.00  0.00           O  
HETATM   29  O   UNL     1       5.888   2.426   0.122  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.669  -1.075  -0.358  1.00  0.00           S  
HETATM   31  H   UNL     1      -3.645  -1.801   3.128  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.967  -0.217   2.381  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.243  -1.457   2.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.648   4.425   0.086  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.823   2.886  -0.513  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.915   3.553   0.486  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.364   1.142   0.284  1.00  0.00           H  
HETATM   38  H   UNL     1       3.484   1.560  -0.444  1.00  0.00           H  
HETATM   39  H   UNL     1       7.480   0.385   0.503  1.00  0.00           H  
HETATM   40  H   UNL     1       6.826  -1.982   0.354  1.00  0.00           H  
HETATM   41  H   UNL     1       6.245  -3.702  -0.698  1.00  0.00           H  
HETATM   42  H   UNL     1       5.847  -3.695   1.037  1.00  0.00           H  
HETATM   43  H   UNL     1       5.024  -4.830  -0.059  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.524  -3.728  -0.021  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.279  -3.795   1.741  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.918  -3.593   1.078  1.00  0.00           H  
HETATM   47  H   UNL     1       7.900   2.262  -0.315  1.00  0.00           H  
HETATM   48  H   UNL     1       7.409   3.778   0.479  1.00  0.00           H  
HETATM   49  H   UNL     1       7.490   2.267   1.417  1.00  0.00           H  
HETATM   50  H   UNL     1       0.960   2.745   1.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.639  -1.576   0.837  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.220  -0.531  -1.307  1.00  0.00           H  
HETATM   53  H   UNL     1       2.322  -1.730  -1.099  1.00  0.00           H  
CONECT    1   20   31   32   33                                       
CONECT    2    3    6    6   34                                       
CONECT    3    4    4    2   35                                       
CONECT    4   22    3    3   16                                       
CONECT    5   13   12                                                 
CONECT    6    2    2    7   36                                       
CONECT    7   16   16    6   37                                       
CONECT    8   21    9    9   38                                       
CONECT    9    8    8   10   29                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   40                                       
CONECT   12    5   21   21   11                                       
CONECT   13    5   41   42   43                                       
CONECT   14   20   44   45   46                                       
CONECT   15   29   47   48   49                                       
CONECT   16    4   30    7    7                                       
CONECT   17   23   23   25   22                                       
CONECT   18   24   24   23   50                                       
CONECT   19   24   26   25   25                                       
CONECT   20   14   30    1   51                                       
CONECT   21   26   12   12    8                                       
CONECT   22   17    4   52                                            
CONECT   23   18   17   17                                            
CONECT   24   18   18   19                                            
CONECT   25   19   19   17                                            
CONECT   26   19   21   53                                            
CONECT   27   30   30                                                 
CONECT   28   30   30                                                 
CONECT   29    9   15                                                 
CONECT   30   28   28   20   16                                       
CONECT   30   27   27                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
