COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.215   2.299  -0.405  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.234   1.000  -0.591  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.150   0.132  -0.569  1.00  0.00           N  
HETATM    4  C   UNL     1       0.143   0.552  -0.009  1.00  0.00           C  
HETATM    5  S   UNL     1       0.489   2.224  -0.649  1.00  0.00           S  
HETATM    6  C   UNL     1      -0.996   3.124  -0.108  1.00  0.00           C  
HETATM    7  CA  UNL     1       1.243  -0.414  -0.454  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.553   0.394  -0.852  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.347   0.041   0.178  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.923   0.213  -1.995  1.00  0.00           O  
HETATM   11  C   UNL     1       1.331  -0.416  -1.959  1.00  0.00           C  
HETATM   12  O   UNL     1       2.359  -0.094  -2.504  1.00  0.00           O  
HETATM   13  C   UNL     1       3.513  -0.885   0.297  1.00  0.00           C  
HETATM   14  N   UNL     1       2.526   0.014   0.109  1.00  0.00           N  
HETATM   15  O   UNL     1       3.370  -2.032  -0.082  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.531   3.027  -0.505  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.799   3.717   0.744  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.988   4.336   0.858  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.300   4.994   1.992  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.781   4.302  -0.062  1.00  0.00           O  
HETATM   21  C   UNL     1       5.996  -0.263   0.161  1.00  0.00           C  
HETATM   22  N   UNL     1       7.175   0.004   0.721  1.00  0.00           N  
HETATM   23  C   UNL     1       8.181   0.167  -0.081  1.00  0.00           C  
HETATM   24  S   UNL     1       7.642  -0.027  -1.745  1.00  0.00           S  
HETATM   25  C   UNL     1       6.000  -0.331  -1.182  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.632  -0.550  -0.153  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.159  -2.831   0.348  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.435  -1.918  -0.596  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.083  -2.497   1.507  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.942  -4.272  -0.037  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.645  -5.096   1.218  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.202  -4.813  -0.716  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.760  -4.370  -1.003  1.00  0.00           C  
HETATM   34  C   UNL     1       4.767  -0.477   0.962  1.00  0.00           C  
HETATM   35  C   UNL     1       4.793  -0.300   2.293  1.00  0.00           C  
HETATM   36  C   UNL     1       3.584  -0.644   3.123  1.00  0.00           C  
HETATM   37  C   UNL     1       3.987  -1.619   4.232  1.00  0.00           C  
HETATM   38  N   UNL     1       9.479   0.450   0.312  1.00  0.00           N  
HETATM   39  H   UNL     1      -1.247  -0.764  -0.928  1.00  0.00           H  
HETATM   40  H   UNL     1       0.086   0.576   1.079  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.060   4.073  -0.641  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.937   3.312   0.964  1.00  0.00           H  
HETATM   43  HA  UNL     1       1.008  -1.418  -0.102  1.00  0.00           H  
HETATM   44  H   UNL     1       0.474  -0.706  -2.549  1.00  0.00           H  
HETATM   45  H   UNL     1       2.666   0.944   0.347  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.484   3.753  -1.317  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.328   2.311  -0.704  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.667   5.022   2.726  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.157   5.441   2.073  1.00  0.00           H  
HETATM   50  H   UNL     1       5.144  -0.536  -1.807  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.273  -0.542   0.728  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.102   0.026  -0.950  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.488  -5.026   1.906  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.489  -6.138   0.939  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.748  -4.710   1.702  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.413  -4.226  -1.610  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.045  -5.855  -0.995  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.044  -4.743  -0.028  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.862  -3.984  -0.519  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.603  -5.412  -1.281  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.971  -3.783  -1.897  1.00  0.00           H  
HETATM   62  H   UNL     1       5.682   0.089   2.768  1.00  0.00           H  
HETATM   63  H   UNL     1       3.178   0.264   3.568  1.00  0.00           H  
HETATM   64  H   UNL     1       2.828  -1.107   2.489  1.00  0.00           H  
HETATM   65  H   UNL     1       3.112  -1.867   4.832  1.00  0.00           H  
HETATM   66  H   UNL     1       4.393  -2.527   3.787  1.00  0.00           H  
HETATM   67  H   UNL     1       4.743  -1.155   4.866  1.00  0.00           H  
HETATM   68  H   UNL     1       9.692   0.541   1.254  1.00  0.00           H  
HETATM   69  H   UNL     1      10.175   0.557  -0.355  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   39                                            
CONECT    4    3    5    7   40                                       
CONECT    5    4    6                                                 
CONECT    6    1    5   41   42                                       
CONECT    7    4   11   14   43                                       
CONECT    8    2    9   10   10                                       
CONECT    9    8   26                                                 
CONECT   10    8    8                                                 
CONECT   11    7   12   12   44                                       
CONECT   12   11   11                                                 
CONECT   13   14   15   15   34                                       
CONECT   14    7   13   45                                            
CONECT   15   13   13                                                 
CONECT   16    1   17   46   47                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   20   20                                       
CONECT   19   18   48   49                                            
CONECT   20   18   18                                                 
CONECT   21   22   25   25   34                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   38                                       
CONECT   24   23   25                                                 
CONECT   25   21   21   24   50                                       
CONECT   26    9   28   51   52                                       
CONECT   27   28   29   29   30                                       
CONECT   28   26   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30   53   54   55                                       
CONECT   32   30   56   57   58                                       
CONECT   33   30   59   60   61                                       
CONECT   34   13   21   35   35                                       
CONECT   35   34   34   36   62                                       
CONECT   36   35   37   63   64                                       
CONECT   37   36   65   66   67                                       
CONECT   38   23   68   69                                            
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
