COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.213  -1.128  -0.249  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.856  -2.487  -0.254  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.881  -3.442  -0.366  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.026  -1.339  -0.068  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.136  -3.016  -0.462  1.00  0.00           N  
HETATM    6  N   UNL     1      -5.496  -0.797  -0.354  1.00  0.00           N  
HETATM    7  N   UNL     1       5.741  -3.338  -0.195  1.00  0.00           N  
HETATM    8  C   UNL     1       6.158  -4.195   0.761  1.00  0.00           C  
HETATM    9  N   UNL     1       6.127  -3.583   1.914  1.00  0.00           N  
HETATM   10  C   UNL     1       5.694  -2.327   1.736  1.00  0.00           C  
HETATM   11  C   UNL     1       5.447  -2.153   0.423  1.00  0.00           C  
HETATM   12  C   UNL     1       4.945  -0.895  -0.237  1.00  0.00           C  
HETATM   13  C   UNL     1       3.418  -0.850  -0.153  1.00  0.00           C  
HETATM   14  N   UNL     1       2.851  -1.954  -0.939  1.00  0.00           N  
HETATM   15  C   UNL     1       2.923   0.463  -0.703  1.00  0.00           C  
HETATM   16  O   UNL     1       2.488   0.522  -1.834  1.00  0.00           O  
HETATM   17  N   UNL     1       2.964   1.572   0.062  1.00  0.00           N  
HETATM   18  S   UNL     1       2.421   3.015  -0.543  1.00  0.00           S  
HETATM   19  O   UNL     1       2.563   3.967   0.502  1.00  0.00           O  
HETATM   20  O   UNL     1       3.023   3.168  -1.821  1.00  0.00           O  
HETATM   21  O   UNL     1       0.926   2.867  -0.787  1.00  0.00           O  
HETATM   22  C   UNL     1       0.136   2.895   0.403  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.342   2.738   0.040  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.576   1.426  -0.500  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.210   2.875   1.305  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.119   3.970   1.172  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.983   1.535   1.381  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.341   1.752   1.768  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.899   1.028  -0.081  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.039  -0.429  -0.131  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.507  -2.546  -0.141  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.423  -1.727  -0.452  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.590  -4.795  -0.378  1.00  0.00           N  
HETATM   34  H   UNL     1      -0.978  -1.095   0.027  1.00  0.00           H  
HETATM   35  H   UNL     1       5.668  -3.525  -1.144  1.00  0.00           H  
HETATM   36  H   UNL     1       6.465  -5.218   0.599  1.00  0.00           H  
HETATM   37  H   UNL     1       5.566  -1.584   2.510  1.00  0.00           H  
HETATM   38  H   UNL     1       5.362  -0.026   0.271  1.00  0.00           H  
HETATM   39  H   UNL     1       5.251  -0.886  -1.283  1.00  0.00           H  
HETATM   40  H   UNL     1       3.108  -0.948   0.887  1.00  0.00           H  
HETATM   41  H   UNL     1       1.847  -1.985  -0.847  1.00  0.00           H  
HETATM   42  H   UNL     1       3.124  -1.886  -1.908  1.00  0.00           H  
HETATM   43  H   UNL     1       3.312   1.526   0.966  1.00  0.00           H  
HETATM   44  H   UNL     1       0.438   2.078   1.059  1.00  0.00           H  
HETATM   45  H   UNL     1       0.285   3.845   0.916  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.625   3.495  -0.691  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.582   3.006   2.186  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.691   4.102   1.941  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.491   0.841   2.063  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.442   2.153   2.642  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.658   1.509  -0.698  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.457  -1.424  -0.533  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.670  -5.094  -0.308  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.306  -5.444  -0.456  1.00  0.00           H  
CONECT    1    2   30    6    6                                       
CONECT    2    1   31    3    3                                       
CONECT    3    2    2   33    5                                       
CONECT    4   31   31   30   34                                       
CONECT    5    3   32   32                                            
CONECT    6    1    1   32                                            
CONECT    7    8   11   35                                            
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   37                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   13   38   39                                       
CONECT   13   12   14   15   40                                       
CONECT   14   13   41   42                                            
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   43                                            
CONECT   18   17   19   19   21                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   25   46                                       
CONECT   24   23   29                                                 
CONECT   25   23   26   27   47                                       
CONECT   26   25   48                                                 
CONECT   27   25   29   28   49                                       
CONECT   28   27   50                                                 
CONECT   29   24   27   30   51                                       
CONECT   30    1    4   29                                            
CONECT   31    2    4    4                                            
CONECT   32    5    5    6   52                                       
CONECT   33    3   53   54                                            
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
