COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.891  -3.787  -0.516  1.00  0.00           C  
HETATM    2  C   UNL     1       4.507  -1.953  -0.465  1.00  0.00           C  
HETATM    3  C   UNL     1       5.205  -1.409  -1.556  1.00  0.00           C  
HETATM    4  C   UNL     1       3.650   0.002  -1.017  1.00  0.00           C  
HETATM    5  C   UNL     1       2.534  -1.175   0.916  1.00  0.00           C  
HETATM    6  C   UNL     1       3.109  -0.664   2.262  1.00  0.00           C  
HETATM    7  C   UNL     1       1.825  -0.283   3.039  1.00  0.00           C  
HETATM    8  C   UNL     1       0.761  -0.094   1.941  1.00  0.00           C  
HETATM    9  O   UNL     1       1.446  -1.338   3.927  1.00  0.00           O  
HETATM   10  N   UNL     1       6.581  -3.314  -1.539  1.00  0.00           N  
HETATM   11  N   UNL     1       4.878  -3.136   0.014  1.00  0.00           N  
HETATM   12  N   UNL     1       7.008  -1.655  -3.159  1.00  0.00           N  
HETATM   13  C   UNL     1       6.280  -2.142  -2.088  1.00  0.00           C  
HETATM   14  O   UNL     1       3.825  -1.700   2.937  1.00  0.00           O  
HETATM   15  OXT UNL     1       0.754   6.007  -1.982  1.00  0.00           O  
HETATM   16  C   UNL     1       0.828   5.702  -0.816  1.00  0.00           C  
HETATM   17  O   UNL     1       1.951   5.956  -0.125  1.00  0.00           O  
HETATM   18  CA  UNL     1      -0.340   5.038  -0.135  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.554   5.240  -0.938  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.065   3.539   0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.203   2.881   0.786  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.885   1.466   1.016  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.082   0.716   1.421  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.079   0.681   0.261  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.868  -0.502  -0.701  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.341  -0.633  -0.705  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.745  -2.043  -0.620  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.226  -2.158  -0.872  1.00  0.00           C  
HETATM   29  S   UNL     1      -7.475  -2.071   0.364  1.00  0.00           S  
HETATM   30  C   UNL     1      -8.730  -2.294  -0.847  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.173  -2.416  -2.053  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.791  -2.336  -2.067  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.423   0.023   0.619  1.00  0.00           C  
HETATM   34  C   UNL     1       0.187   1.322   2.010  1.00  0.00           C  
HETATM   35  O   UNL     1       1.411  -0.300   0.676  1.00  0.00           O  
HETATM   36  N   UNL     1       3.528  -1.045  -0.152  1.00  0.00           N  
HETATM   37  N   UNL     1       4.633  -0.215  -1.841  1.00  0.00           N  
HETATM   38  H   UNL     1       6.166  -4.747  -0.103  1.00  0.00           H  
HETATM   39  H   UNL     1       3.018   0.878  -1.022  1.00  0.00           H  
HETATM   40  H   UNL     1       2.202  -2.209   1.009  1.00  0.00           H  
HETATM   41  H   UNL     1       3.743   0.209   2.108  1.00  0.00           H  
HETATM   42  H   UNL     1       1.974   0.644   3.592  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.039  -0.824   2.070  1.00  0.00           H  
HETATM   44  H   UNL     1       2.107  -1.539   4.603  1.00  0.00           H  
HETATM   45  H   UNL     1       7.748  -2.170  -3.517  1.00  0.00           H  
HETATM   46  H   UNL     1       6.779  -0.798  -3.552  1.00  0.00           H  
HETATM   47  H   UNL     1       4.204  -1.429   3.784  1.00  0.00           H  
HETATM   48  H   UNL     1       2.674   6.384  -0.605  1.00  0.00           H  
HETATM   49  HA  UNL     1      -0.481   5.474   0.854  1.00  0.00           H  
HETATM   50  H1  UNL     1      -1.449   4.844  -1.860  1.00  0.00           H  
HETATM   51  H2  UNL     1      -2.364   4.859  -0.471  1.00  0.00           H  
HETATM   52  H   UNL     1       0.002   3.089  -0.987  1.00  0.00           H  
HETATM   53  H   UNL     1       0.875   3.390   0.535  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.325   3.387   1.744  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.128   2.957   0.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.800  -0.302   1.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.542   1.204   2.281  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.181   1.644  -0.240  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.450  -0.214  -1.666  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.352  -1.349  -0.249  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.203  -2.622  -1.368  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.514  -2.427   0.374  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.791  -2.328  -0.646  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.755  -2.562  -2.951  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.214  -2.414  -2.977  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.363  -0.671   1.457  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.248   0.730   0.709  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.215   1.503   3.007  1.00  0.00           H  
HETATM   69  H   UNL     1       0.976   2.044   1.800  1.00  0.00           H  
CONECT    1   10   11   11   38                                       
CONECT    2    3    3   11   36                                       
CONECT    3   13   37    2    2                                       
CONECT    4   37   37   36   39                                       
CONECT    5   36    6   35   40                                       
CONECT    6    5    7   14   41                                       
CONECT    7    6    9    8   42                                       
CONECT    8    7   35   34   43                                       
CONECT    9    7   44                                                 
CONECT   10   13   13    1                                            
CONECT   11    1    1    2                                            
CONECT   12   13   45   46                                            
CONECT   13   12   10   10    3                                       
CONECT   14    6   47                                                 
CONECT   15   16   16                                                 
CONECT   16   18   17   15   15                                       
CONECT   17   16   48                                                 
CONECT   18   19   20   16   49                                       
CONECT   19   18   50   51                                            
CONECT   20   21   18   52   53                                       
CONECT   21   20   22   54   55                                       
CONECT   22   21   34   23                                            
CONECT   23   22   24   56   57                                       
CONECT   24   23   33   25   58                                       
CONECT   25   24   26   59   60                                       
CONECT   26   33   25   27                                            
CONECT   27   26   28   61   62                                       
CONECT   28   29   27   32   32                                       
CONECT   29   30   28                                                 
CONECT   30   29   31   31   63                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   28   28   65                                       
CONECT   33   24   26   66   67                                       
CONECT   34    8   22   68   69                                       
CONECT   35    5    8                                                 
CONECT   36    2    4    5                                            
CONECT   37    3    4    4                                            
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
