COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.096  -0.679   0.422  1.00  0.00           C  
HETATM    2  C   UNL     1       0.687  -2.008   0.421  1.00  0.00           C  
HETATM    3  C   UNL     1       0.256  -2.830  -0.811  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.259  -3.014  -0.916  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.945  -1.718  -0.833  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.610  -0.867   0.313  1.00  0.00           C  
HETATM    7  C   UNL     1       0.439  -2.793   1.723  1.00  0.00           C  
HETATM    8  C   UNL     1       2.194  -1.707   0.326  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.220  -1.627  -1.406  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.419  -1.887  -2.776  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.689  -1.795  -3.347  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.784  -1.443  -2.558  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.609  -1.182  -1.199  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.340  -1.273  -0.628  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.107  -1.349  -3.153  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.425  -2.009  -4.154  1.00  0.00           O  
HETATM   17  N   UNL     1      -8.043  -0.450  -2.518  1.00  0.00           N  
HETATM   18  S   UNL     1      -9.656  -0.165  -3.028  1.00  0.00           S  
HETATM   19  C   UNL     1     -10.496  -1.527  -2.277  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.622  -2.714  -2.979  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.285  -3.789  -2.386  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.812  -3.660  -1.101  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.675  -2.457  -0.408  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.012  -1.383  -1.001  1.00  0.00           C  
HETATM   25  N   UNL     1     -12.488  -4.734  -0.478  1.00  0.00           N  
HETATM   26  C   UNL     1     -12.049  -5.316   0.750  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.511  -5.230   0.841  1.00  0.00           C  
HETATM   28  S   UNL     1      -9.780  -5.962   2.343  1.00  0.00           S  
HETATM   29  C   UNL     1      -8.073  -5.643   2.025  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.676  -4.985   0.850  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.328  -4.733   0.599  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.359  -5.134   1.519  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.740  -5.789   2.691  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.088  -6.042   2.942  1.00  0.00           C  
HETATM   35  N   UNL     1     -11.411  -5.005  -3.115  1.00  0.00           N1+
HETATM   36  O   UNL     1     -12.006  -5.970  -2.582  1.00  0.00           O  
HETATM   37  O   UNL     1     -10.921  -5.073  -4.266  1.00  0.00           O1-
HETATM   38  O   UNL     1     -10.154   1.037  -2.388  1.00  0.00           O  
HETATM   39  O   UNL     1      -9.736  -0.322  -4.467  1.00  0.00           O  
HETATM   40  C   UNL     1     -12.464  -6.796   0.745  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.753  -4.608   1.915  1.00  0.00           C  
HETATM   42  H   UNL     1       0.239  -0.068  -0.428  1.00  0.00           H  
HETATM   43  H   UNL     1       0.134  -0.104   1.327  1.00  0.00           H  
HETATM   44  H   UNL     1       0.741  -3.814  -0.798  1.00  0.00           H  
HETATM   45  H   UNL     1       0.607  -2.322  -1.719  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.485  -3.504  -1.871  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.622  -3.672  -0.117  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.009  -1.316   1.231  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.079   0.118   0.201  1.00  0.00           H  
HETATM   50  H   UNL     1       0.991  -2.343   2.554  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.626  -2.792   1.975  1.00  0.00           H  
HETATM   52  H   UNL     1       0.767  -3.831   1.613  1.00  0.00           H  
HETATM   53  H   UNL     1       2.490  -1.558  -0.717  1.00  0.00           H  
HETATM   54  H   UNL     1       2.441  -0.801   0.886  1.00  0.00           H  
HETATM   55  H   UNL     1       2.778  -2.536   0.735  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.572  -2.162  -3.399  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.813  -2.001  -4.407  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.456  -0.906  -0.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.215  -1.069   0.432  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.715   0.062  -1.691  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.210  -2.810  -3.981  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.081  -2.345   0.594  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.911  -0.450  -0.453  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.305  -5.081  -0.940  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.055  -5.734  -0.018  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.188  -4.182   0.811  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.417  -4.664   0.122  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.031  -4.223  -0.313  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.309  -4.937   1.323  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.985  -6.101   3.407  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.365  -6.553   3.861  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.169  -7.294   1.675  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.549  -6.905   0.634  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.999  -7.337  -0.088  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.580  -3.526   1.908  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.412  -5.000   2.880  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.839  -4.750   1.862  1.00  0.00           H  
CONECT    1    2    6   42   43                                       
CONECT    2    7    3    1    8                                       
CONECT    3    4    2   44   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    9    4    6                                            
CONECT    6    5    1   48   49                                       
CONECT    7    2   50   51   52                                       
CONECT    8    2   53   54   55                                       
CONECT    9   10   10   14    5                                       
CONECT   10   11    9    9   56                                       
CONECT   11   12   12   10   57                                       
CONECT   12   15   11   11   13                                       
CONECT   13   12   14   14   58                                       
CONECT   14   13   13    9   59                                       
CONECT   15   16   16   17   12                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   60                                            
CONECT   18   19   39   39   17                                       
CONECT   18   38   38                                                 
CONECT   19   20   20   24   18                                       
CONECT   20   21   19   19   61                                       
CONECT   21   35   22   22   20                                       
CONECT   22   25   21   21   23                                       
CONECT   23   22   24   24   62                                       
CONECT   24   23   23   19   63                                       
CONECT   25   26   22   64                                            
CONECT   26   40   27   25   41                                       
CONECT   27   26   28   65   66                                       
CONECT   28   27   29                                                 
CONECT   29   28   34   30   30                                       
CONECT   30   29   29   31   67                                       
CONECT   31   32   32   30   68                                       
CONECT   32   33   31   31   69                                       
CONECT   33   34   34   32   70                                       
CONECT   34   33   33   29   71                                       
CONECT   35   36   36   37   21                                       
CONECT   36   35   35                                                 
CONECT   37   35                                                      
CONECT   38   18   18                                                 
CONECT   39   18   18                                                 
CONECT   40   26   72   73   74                                       
CONECT   41   26   75   76   77                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
