COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.834   0.520  -0.434  1.00  0.00           C  
HETATM    2  C   UNL     1       3.556   0.102  -0.292  1.00  0.00           C  
HETATM    3  C   UNL     1       3.267   1.469  -0.347  1.00  0.00           C  
HETATM    4  C   UNL     1       4.389   2.402  -0.454  1.00  0.00           C  
HETATM    5  N   UNL     1       4.828  -0.313  -0.338  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.442  -4.623   0.773  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.809  -3.639  -0.613  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.971  -3.678   0.544  1.00  0.00           C  
HETATM    9  C   UNL     1       0.495  -3.606   0.115  1.00  0.00           C  
HETATM   10  O   UNL     1       0.773  -2.320  -0.464  1.00  0.00           O  
HETATM   11  C   UNL     1       1.410  -3.766   1.344  1.00  0.00           C  
HETATM   12  O   UNL     1       2.254  -4.910   1.195  1.00  0.00           O  
HETATM   13  C   UNL     1       2.254  -2.468   1.361  1.00  0.00           C  
HETATM   14  O   UNL     1       3.615  -2.749   1.695  1.00  0.00           O  
HETATM   15  N   UNL     1       2.345  -0.536  -0.195  1.00  0.00           N  
HETATM   16  C   UNL     1       1.376   0.424  -0.193  1.00  0.00           C  
HETATM   17  N   UNL     1       1.924   1.602  -0.283  1.00  0.00           N  
HETATM   18  N   UNL     1       4.485   3.713  -0.526  1.00  0.00           N  
HETATM   19  N   UNL     1       5.658   1.875  -0.495  1.00  0.00           N  
HETATM   20  C   UNL     1       5.776   4.057  -0.613  1.00  0.00           C  
HETATM   21  C   UNL     1       6.523   2.935  -0.595  1.00  0.00           C  
HETATM   22  N   UNL     1       7.113   0.015  -0.470  1.00  0.00           N  
HETATM   23  S   UNL     1      -3.297  -3.705  -0.302  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.961  -3.858  -1.549  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.742  -2.222   0.285  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.678  -1.135  -0.509  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.082   0.214   0.025  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.917   1.268  -1.071  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.321   2.618  -0.536  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.474   3.547   0.214  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.279   4.665   0.497  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.520   4.420  -0.047  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.525   3.198  -0.662  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.295  -1.244  -1.655  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.148   3.515   0.650  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.638   4.573   1.349  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.428   5.679   1.631  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.739   5.731   1.211  1.00  0.00           C  
HETATM   39  C   UNL     1       2.132  -1.982  -0.110  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.203  -2.831   1.189  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.145  -4.607   1.087  1.00  0.00           H  
HETATM   42  H   UNL     1       0.708  -4.392  -0.610  1.00  0.00           H  
HETATM   43  H   UNL     1       0.815  -3.848   2.254  1.00  0.00           H  
HETATM   44  H   UNL     1       2.851  -5.058   1.941  1.00  0.00           H  
HETATM   45  H   UNL     1       1.829  -1.737   2.049  1.00  0.00           H  
HETATM   46  H   UNL     1       3.732  -3.139   2.572  1.00  0.00           H  
HETATM   47  H   UNL     1       0.315   0.235  -0.127  1.00  0.00           H  
HETATM   48  H   UNL     1       6.156   5.066  -0.685  1.00  0.00           H  
HETATM   49  H   UNL     1       7.601   2.881  -0.649  1.00  0.00           H  
HETATM   50  H   UNL     1       7.258  -0.943  -0.424  1.00  0.00           H  
HETATM   51  H   UNL     1       7.871   0.617  -0.541  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.048  -2.135   1.202  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.124   0.182   0.344  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.451   0.472   0.875  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.875   1.301  -1.390  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.549   1.010  -1.921  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.277   5.025  -0.003  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.374   2.763  -1.169  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.527   2.658   0.434  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.612   4.547   1.686  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.011   6.506   2.185  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.346   6.596   1.435  1.00  0.00           H  
HETATM   63  H   UNL     1       2.839  -2.512  -0.749  1.00  0.00           H  
CONECT    1   19   22    5    5                                       
CONECT    2    3    3    5   15                                       
CONECT    3    4   17    2    2                                       
CONECT    4   18   18   19    3                                       
CONECT    5    1    1    2                                            
CONECT    6   23   23                                                 
CONECT    7    8   23                                                 
CONECT    8    9    7   40   41                                       
CONECT    9   10   11    8   42                                       
CONECT   10   39    9                                                 
CONECT   11   13    9   12   43                                       
CONECT   12   11   44                                                 
CONECT   13   39   14   11   45                                       
CONECT   14   13   46                                                 
CONECT   15    2   16   39                                            
CONECT   16   17   17   15   47                                       
CONECT   17    3   16   16                                            
CONECT   18   20    4    4                                            
CONECT   19   21    4    1                                            
CONECT   20   21   21   18   48                                       
CONECT   21   20   20   19   49                                       
CONECT   22    1   50   51                                            
CONECT   23    7   25   24   24                                       
CONECT   23    6    6                                                 
CONECT   24   23   23                                                 
CONECT   25   26   23   52                                            
CONECT   26   34   34   25   27                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   29   55   56                                       
CONECT   29   33   33   28   30                                       
CONECT   30   29   31   31   35                                       
CONECT   31   32   30   30   38                                       
CONECT   32   33   31   57                                            
CONECT   33   32   29   29   58                                       
CONECT   34   26   26                                                 
CONECT   35   30   36   36   59                                       
CONECT   36   35   35   37   60                                       
CONECT   37   38   38   36   61                                       
CONECT   38   31   37   37   62                                       
CONECT   39   15   13   10   63                                       
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
