COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.143  -1.557  -0.671  1.00  0.00           C  
HETATM    2  C   UNL     1       4.892  -2.859  -0.386  1.00  0.00           C  
HETATM    3  C   UNL     1       4.101  -3.682   0.636  1.00  0.00           C  
HETATM    4  C   UNL     1       2.695  -3.944   0.091  1.00  0.00           C  
HETATM    5  C   UNL     1       2.734  -1.877  -1.173  1.00  0.00           C  
HETATM    6  O   UNL     1       4.069  -0.772   0.517  1.00  0.00           O  
HETATM    7  C   UNL     1       3.662   0.521   0.408  1.00  0.00           C  
HETATM    8  C   UNL     1       3.652   1.177  -0.801  1.00  0.00           C  
HETATM    9  C   UNL     1       4.079   0.492  -2.073  1.00  0.00           C  
HETATM   10  C   UNL     1       4.899  -0.757  -1.739  1.00  0.00           C  
HETATM   11  C   UNL     1       3.248   1.185   1.568  1.00  0.00           C  
HETATM   12  C   UNL     1       2.834   2.483   1.527  1.00  0.00           C  
HETATM   13  C   UNL     1       2.820   3.171   0.317  1.00  0.00           C  
HETATM   14  C   UNL     1       3.234   2.515  -0.857  1.00  0.00           C  
HETATM   15  N   UNL     1       2.470   4.447  -0.047  1.00  0.00           N  
HETATM   16  N   UNL     1       2.662   4.598  -1.424  1.00  0.00           N  
HETATM   17  C   UNL     1       3.109   3.487  -1.938  1.00  0.00           C  
HETATM   18  C   UNL     1       0.619  -2.878  -0.553  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.162  -1.573  -0.384  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.640  -1.820  -0.692  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.027  -1.108   0.960  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.361  -0.545  -0.676  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.074   0.472  -1.690  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.815   0.127  -2.984  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.644   0.245   1.945  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.384   1.584   2.169  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.711   1.976   3.312  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.299   1.028   4.230  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.559  -0.311   4.006  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.236  -0.702   2.866  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.525  -2.161   2.624  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.834   2.617   1.168  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.225   0.203  -2.760  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.498   0.009  -3.558  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.013  -0.104  -3.911  1.00  0.00           C  
HETATM   36  S   UNL     1      -3.502  -0.254   0.489  1.00  0.00           S  
HETATM   37  O   UNL     1      -4.242   0.877   0.052  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.101  -1.508   0.786  1.00  0.00           O  
HETATM   39  N   UNL     1       2.019  -2.665  -0.162  1.00  0.00           N  
HETATM   40  H   UNL     1       4.997  -3.429  -1.309  1.00  0.00           H  
HETATM   41  H   UNL     1       5.879  -2.631   0.017  1.00  0.00           H  
HETATM   42  H   UNL     1       4.607  -4.631   0.810  1.00  0.00           H  
HETATM   43  H   UNL     1       4.031  -3.129   1.572  1.00  0.00           H  
HETATM   44  H   UNL     1       2.766  -4.507  -0.840  1.00  0.00           H  
HETATM   45  H   UNL     1       2.124  -4.518   0.820  1.00  0.00           H  
HETATM   46  H   UNL     1       2.195  -0.947  -1.357  1.00  0.00           H  
HETATM   47  H   UNL     1       2.800  -2.448  -2.099  1.00  0.00           H  
HETATM   48  H   UNL     1       3.196   0.204  -2.644  1.00  0.00           H  
HETATM   49  H   UNL     1       4.686   1.175  -2.667  1.00  0.00           H  
HETATM   50  H   UNL     1       5.876  -0.464  -1.355  1.00  0.00           H  
HETATM   51  H   UNL     1       5.023  -1.366  -2.634  1.00  0.00           H  
HETATM   52  H   UNL     1       3.257   0.660   2.511  1.00  0.00           H  
HETATM   53  H   UNL     1       2.517   2.978   2.433  1.00  0.00           H  
HETATM   54  H   UNL     1       3.346   3.317  -2.977  1.00  0.00           H  
HETATM   55  H   UNL     1       0.178  -3.649   0.078  1.00  0.00           H  
HETATM   56  H   UNL     1       0.577  -3.194  -1.595  1.00  0.00           H  
HETATM   57  H   UNL     1       0.232  -0.823  -1.070  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.734  -2.278  -1.677  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.062  -2.486   0.060  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.377  -1.717   1.624  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.405   1.447  -1.331  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.002   0.501  -1.883  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.533   0.833  -3.764  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.551  -0.884  -3.295  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.508   3.022   3.487  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.772   1.334   5.122  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.237  -1.051   4.723  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.812  -2.558   1.901  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.434  -2.709   3.562  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.537  -2.271   2.235  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.880   2.865   1.347  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.224   3.515   1.274  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.722   2.218   0.160  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.735  -0.692  -2.758  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.716   1.025  -3.227  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.099  -0.225  -4.436  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.776   0.598  -4.712  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.795  -1.119  -4.242  1.00  0.00           H  
HETATM   79  H   UNL     1       2.141   5.134   0.554  1.00  0.00           H  
CONECT    1   10    6    5    2                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4   42   43                                       
CONECT    4    3   39   44   45                                       
CONECT    5    1   39   46   47                                       
CONECT    6    1    7                                                 
CONECT    7    6    8    8   11                                       
CONECT    8    7    7   14    9                                       
CONECT    9    8   10   48   49                                       
CONECT   10    1    9   50   51                                       
CONECT   11    7   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   15   14   14                                       
CONECT   14    8   13   13   17                                       
CONECT   15   13   16   79                                            
CONECT   16   15   17   17                                            
CONECT   17   14   16   16   54                                       
CONECT   18   19   39   55   56                                       
CONECT   19   18   21   20   57                                       
CONECT   20   19   22   58   59                                       
CONECT   21   19   60                                                 
CONECT   22   20   36   23                                            
CONECT   23   22   24   61   62                                       
CONECT   24   23   33   63   64                                       
CONECT   25   26   26   36   30                                       
CONECT   26   25   25   32   27                                       
CONECT   27   26   28   28   65                                       
CONECT   28   27   27   29   66                                       
CONECT   29   28   30   30   67                                       
CONECT   30   25   29   29   31                                       
CONECT   31   30   68   69   70                                       
CONECT   32   26   71   72   73                                       
CONECT   33   24   35                                                 
CONECT   34   35   74   75   76                                       
CONECT   35   33   34   77   78                                       
CONECT   36   22   25   38   38                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39    4    5   18                                            
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   15                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
