COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.771   0.599  -0.303  1.00  0.00           N  
HETATM    2  N   UNL     1       2.300  -1.678  -0.049  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.579   1.001  -1.670  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.930   0.711  -1.677  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.640   0.691  -0.486  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.461   1.584  -0.472  1.00  0.00           C  
HETATM    7  C   UNL     1       0.338   0.290  -0.308  1.00  0.00           C  
HETATM    8  C   UNL     1       4.086  -0.133  -0.166  1.00  0.00           C  
HETATM    9  C   UNL     1       3.702  -4.965   0.332  1.00  0.00           C  
HETATM   10  C   UNL     1       4.785   1.133  -0.282  1.00  0.00           C  
HETATM   11  C   UNL     1       7.312   2.775   1.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.092   0.070   0.573  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.992   0.964   0.710  1.00  0.00           C  
HETATM   14  O   UNL     1       2.721  -3.935   0.199  1.00  0.00           O  
HETATM   15  S   UNL     1       6.624  -0.617  -0.050  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.641   1.254   0.712  1.00  0.00           C  
HETATM   17  N   UNL     1       4.476  -2.447   0.088  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.969   0.406  -0.490  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.934   1.267  -0.477  1.00  0.00           C  
HETATM   20  N   UNL     1      -8.702  -0.191  -0.598  1.00  0.00           N  
HETATM   21  N   UNL     1      -9.942  -0.433  -0.334  1.00  0.00           N  
HETATM   22  N   UNL     1     -10.123  -0.334   0.936  1.00  0.00           N  
HETATM   23  N   UNL     1      -9.008  -0.028   1.505  1.00  0.00           N  
HETATM   24  C   UNL     1       2.697  -0.420  -0.172  1.00  0.00           C  
HETATM   25  C   UNL     1       4.969  -1.207  -0.030  1.00  0.00           C  
HETATM   26  C   UNL     1       3.176  -2.664   0.077  1.00  0.00           C  
HETATM   27  C   UNL     1       6.100   1.046  -0.239  1.00  0.00           C  
HETATM   28  C   UNL     1       7.034   2.225  -0.339  1.00  0.00           C  
HETATM   29  C   UNL     1       8.260   3.972   0.960  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.636   0.404   0.774  1.00  0.00           C  
HETATM   31  H   UNL     1       2.070   1.516  -0.397  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.026   1.016  -2.598  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.433   0.500  -2.610  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.237   2.258   0.355  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.189   2.062  -1.413  1.00  0.00           H  
HETATM   36  H   UNL     1       0.114  -0.383  -1.135  1.00  0.00           H  
HETATM   37  H   UNL     1       0.067  -0.188   0.633  1.00  0.00           H  
HETATM   38  H   UNL     1       4.302  -4.782   1.223  1.00  0.00           H  
HETATM   39  H   UNL     1       3.205  -5.931   0.421  1.00  0.00           H  
HETATM   40  H   UNL     1       4.348  -4.968  -0.546  1.00  0.00           H  
HETATM   41  H   UNL     1       4.269   2.075  -0.394  1.00  0.00           H  
HETATM   42  H   UNL     1       6.375   3.091   1.520  1.00  0.00           H  
HETATM   43  H   UNL     1       7.772   1.998   1.672  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.543   0.950   1.639  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.136   1.466   1.642  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.288  -0.196  -1.475  1.00  0.00           H  
HETATM   47  H   UNL     1       6.574   3.001  -0.950  1.00  0.00           H  
HETATM   48  H   UNL     1       7.970   1.908  -0.798  1.00  0.00           H  
HETATM   49  H   UNL     1       9.196   3.655   0.501  1.00  0.00           H  
HETATM   50  H   UNL     1       7.800   4.749   0.349  1.00  0.00           H  
HETATM   51  H   UNL     1       8.458   4.364   1.957  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.549   1.389   1.232  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.179  -0.341   1.425  1.00  0.00           H  
CONECT    1   24    7   31                                            
CONECT    2   26   26   24                                            
CONECT    3   19    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5   13   13    4   18                                       
CONECT    6    7   19   34   35                                       
CONECT    7    1    6   36   37                                       
CONECT    8   25   10   24   24                                       
CONECT    9   14   38   39   40                                       
CONECT   10   27   27    8   41                                       
CONECT   11   29   28   42   43                                       
CONECT   12   23   23   30   20                                       
CONECT   13   16    5    5   44                                       
CONECT   14   26    9                                                 
CONECT   15   27   25                                                 
CONECT   16   19   19   13   45                                       
CONECT   17   25   25   26                                            
CONECT   18    5   30                                                 
CONECT   19    6   16   16    3                                       
CONECT   20   12   21   46                                            
CONECT   21   22   22   20                                            
CONECT   22   23   21   21                                            
CONECT   23   22   12   12                                            
CONECT   24    8    8    2    1                                       
CONECT   25   15   17   17    8                                       
CONECT   26   17   14    2    2                                       
CONECT   27   28   15   10   10                                       
CONECT   28   11   27   47   48                                       
CONECT   29   11   49   50   51                                       
CONECT   30   18   12   52   53                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
