COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.020  -0.285  -0.530  1.00  0.00           C  
HETATM    2  C   UNL     1       5.110  -1.316  -0.389  1.00  0.00           C  
HETATM    3  C   UNL     1       5.302  -1.958   0.820  1.00  0.00           C  
HETATM    4  C   UNL     1       6.302  -2.903   0.949  1.00  0.00           C  
HETATM    5  C   UNL     1       7.110  -3.207  -0.130  1.00  0.00           C  
HETATM    6  C   UNL     1       6.918  -2.565  -1.339  1.00  0.00           C  
HETATM    7  C   UNL     1       5.914  -1.624  -1.471  1.00  0.00           C  
HETATM    8  S   UNL     1       4.678   1.352  -0.111  1.00  0.00           S  
HETATM    9  O   UNL     1       4.980   1.428   1.275  1.00  0.00           O  
HETATM   10  O   UNL     1       5.616   1.778  -1.090  1.00  0.00           O  
HETATM   11  N   UNL     1       3.392   2.377  -0.306  1.00  0.00           N  
HETATM   12  C   UNL     1       1.184   1.402  -0.114  1.00  0.00           C  
HETATM   13  O   UNL     1       1.553   0.402  -0.694  1.00  0.00           O  
HETATM   14  C   UNL     1       2.219   2.253   0.563  1.00  0.00           C  
HETATM   15  C   UNL     1       1.645   3.645   0.844  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.695   2.877   0.497  1.00  0.00           C  
HETATM   17  C   UNL     1       0.277   3.478   1.516  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.492  -0.286   0.226  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.119   1.686  -0.113  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.099  -0.241   1.372  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.028   0.744  -0.771  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.779  -3.375   0.893  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.341  -1.261  -0.157  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.783  -3.336   0.212  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.570  -2.321   0.079  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.634  -1.223   0.148  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.316  -0.144  -0.892  1.00  0.00           C  
HETATM   28  CA  UNL     1      -2.792  -2.262   0.812  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.141  -2.832   0.367  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.853  -0.653  -0.634  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.943   0.331  -0.676  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.198  -1.727   0.404  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.682   1.672  -0.517  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.693   2.591  -0.672  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.478   2.071  -0.221  1.00  0.00           N  
HETATM   36  H   UNL     1       3.657  -0.279  -1.558  1.00  0.00           H  
HETATM   37  H   UNL     1       3.199  -0.530   0.143  1.00  0.00           H  
HETATM   38  H   UNL     1       4.671  -1.721   1.663  1.00  0.00           H  
HETATM   39  H   UNL     1       6.452  -3.405   1.894  1.00  0.00           H  
HETATM   40  H   UNL     1       7.892  -3.945  -0.029  1.00  0.00           H  
HETATM   41  H   UNL     1       7.550  -2.801  -2.183  1.00  0.00           H  
HETATM   42  H   UNL     1       5.764  -1.122  -2.415  1.00  0.00           H  
HETATM   43  H   UNL     1       2.512   1.787   1.503  1.00  0.00           H  
HETATM   44  H   UNL     1       3.415   3.059  -0.996  1.00  0.00           H  
HETATM   45  H   UNL     1       2.316   4.191   1.507  1.00  0.00           H  
HETATM   46  H   UNL     1       1.531   4.190  -0.093  1.00  0.00           H  
HETATM   47  H   UNL     1       0.363   2.814   2.375  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.088   4.453   1.839  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.913   3.610  -0.280  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.622   2.610   1.005  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.506   0.248  -1.590  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.889   1.284  -1.164  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.652  -1.299  -1.075  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.807  -3.102   0.802  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.614  -1.652  -0.060  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.404  -0.565  -1.893  1.00  0.00           H  
HETATM   57  HA  UNL     1      -2.900  -1.797   1.792  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.054  -3.218  -0.649  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.434  -3.638   1.038  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.740  -1.116  -1.614  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.923  -0.158  -0.354  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.221  -1.279   1.397  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.603   2.291  -0.822  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.495   3.540  -0.631  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.294   3.017  -0.109  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.944  -4.208   1.561  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.553  -2.748  -0.924  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.634  -0.779   1.144  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.012   0.687  -0.780  1.00  0.00           H  
CONECT    1   36   37    2    8                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2   38    4    4                                       
CONECT    4    3    3   39    5                                       
CONECT    5    4   40    6    6                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6    2    2   42                                       
CONECT    8    9    9    1   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   44   14                                            
CONECT   12   19   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   11   43   15                                       
CONECT   15   14   45   46   17                                       
CONECT   16   19   17   49   50                                       
CONECT   17   16   15   47   48                                       
CONECT   18   23   21   20   20                                       
CONECT   19   12   21   16                                            
CONECT   20   18   18                                                 
CONECT   21   18   19   51   52                                       
CONECT   22   28   66   24   24                                       
CONECT   23   18   53   28                                            
CONECT   24   22   22                                                 
CONECT   25   32   26   67   54                                       
CONECT   26   25   27   68   55                                       
CONECT   27   26   31   69   56                                       
CONECT   28   22   23   29   57                                       
CONECT   29   28   32   58   59                                       
CONECT   30   31   60   61   32                                       
CONECT   31   27   30   33                                            
CONECT   32   25   29   30   62                                       
CONECT   33   31   34   35   35                                       
CONECT   34   63   64   33                                            
CONECT   35   65   33   33                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   14                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   22                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
