COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.417  -3.393   0.909  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.590  -3.470   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.092  -4.914  -0.030  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.682  -2.581   0.566  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.665  -2.237   1.729  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.033  -5.795  -0.697  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.469  -7.260  -0.625  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.875  -5.381  -2.162  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.336   3.097   1.306  1.00  0.00           C  
HETATM   10  C   UNL     1       4.266   1.168   0.283  1.00  0.00           C  
HETATM   11  C   UNL     1       3.117   0.967  -0.404  1.00  0.00           C  
HETATM   12  C   UNL     1       5.301   0.130   0.632  1.00  0.00           C  
HETATM   13  C   UNL     1       6.670   0.581   0.118  1.00  0.00           C  
HETATM   14  C   UNL     1       7.720  -0.474   0.473  1.00  0.00           C  
HETATM   15  C   UNL     1       9.089  -0.023  -0.041  1.00  0.00           C  
HETATM   16  C   UNL     1      10.140  -1.077   0.314  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.010   4.074   0.173  1.00  0.00           C  
HETATM   18  C   UNL     1      11.509  -0.626  -0.200  1.00  0.00           C  
HETATM   19  C   UNL     1      12.559  -1.680   0.155  1.00  0.00           C  
HETATM   20  C   UNL     1      13.928  -1.230  -0.359  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.307   4.467  -0.541  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.002   3.200  -1.048  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.251   2.257   0.132  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.890   0.963  -0.375  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.061   3.404  -0.822  1.00  0.00           C  
HETATM   26  C   UNL     1       0.277   3.117  -0.138  1.00  0.00           C  
HETATM   27  C   UNL     1       1.226   2.447  -1.134  1.00  0.00           C  
HETATM   28  N   UNL     1       2.507   2.173  -0.479  1.00  0.00           N  
HETATM   29  N   UNL     1       3.246   3.037   0.124  1.00  0.00           N  
HETATM   30  N   UNL     1       4.306   2.470   0.585  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.676  -2.168  -0.245  1.00  0.00           N  
HETATM   32  O   UNL     1      -6.738  -0.908  -0.746  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.322  -1.791   1.555  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.167   5.151   0.373  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.248   3.548  -1.653  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.008   1.956   0.770  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.228   0.131   0.737  1.00  0.00           O  
HETATM   38  S   UNL     1      -5.875  -1.191   0.347  1.00  0.00           S  
HETATM   39  H   UNL     1      -1.621  -3.784   1.817  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.620  -3.848   0.490  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.315  -3.141  -0.974  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.279  -5.275   0.982  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.015  -4.956  -0.607  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.081  -5.673  -0.181  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.579  -7.555   0.419  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.423  -7.381  -1.139  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.717  -7.887  -1.103  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.565  -4.338  -2.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.122  -6.009  -2.637  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.828  -5.503  -2.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.412   2.781   1.790  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.979   3.589   2.036  1.00  0.00           H  
HETATM   53  H   UNL     1       2.760   0.033  -0.810  1.00  0.00           H  
HETATM   54  H   UNL     1       5.342   0.007   1.715  1.00  0.00           H  
HETATM   55  H   UNL     1       5.034  -0.820   0.169  1.00  0.00           H  
HETATM   56  H   UNL     1       6.629   0.703  -0.964  1.00  0.00           H  
HETATM   57  H   UNL     1       6.937   1.530   0.581  1.00  0.00           H  
HETATM   58  H   UNL     1       7.761  -0.596   1.556  1.00  0.00           H  
HETATM   59  H   UNL     1       7.453  -1.423   0.010  1.00  0.00           H  
HETATM   60  H   UNL     1       9.049   0.099  -1.123  1.00  0.00           H  
HETATM   61  H   UNL     1       9.356   0.927   0.422  1.00  0.00           H  
HETATM   62  H   UNL     1      10.181  -1.199   1.396  1.00  0.00           H  
HETATM   63  H   UNL     1       9.872  -2.027  -0.149  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.535   4.964   0.586  1.00  0.00           H  
HETATM   65  H   UNL     1      11.468  -0.504  -1.282  1.00  0.00           H  
HETATM   66  H   UNL     1      11.776   0.324   0.263  1.00  0.00           H  
HETATM   67  H   UNL     1      12.600  -1.803   1.237  1.00  0.00           H  
HETATM   68  H   UNL     1      12.292  -2.630  -0.308  1.00  0.00           H  
HETATM   69  H   UNL     1      13.887  -1.107  -1.442  1.00  0.00           H  
HETATM   70  H   UNL     1      14.195  -0.280   0.104  1.00  0.00           H  
HETATM   71  H   UNL     1      14.676  -1.981  -0.106  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.076   5.120  -1.383  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.366   2.704  -1.782  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.919   2.737   0.847  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.793   1.200  -0.939  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.186   0.438  -1.021  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.499   2.468  -1.169  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.900   4.066  -1.673  1.00  0.00           H  
HETATM   79  H   UNL     1       0.716   4.053   0.208  1.00  0.00           H  
HETATM   80  H   UNL     1       0.116   2.455   0.712  1.00  0.00           H  
HETATM   81  H   UNL     1       0.788   1.511  -1.480  1.00  0.00           H  
HETATM   82  H   UNL     1       1.388   3.109  -1.985  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.689  -2.443  -1.175  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.008   5.430  -0.013  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.743   2.793  -1.998  1.00  0.00           H  
CONECT    1    2   39   40                                            
CONECT    2    3    1    4   41                                       
CONECT    3    6    2   42   43                                       
CONECT    4    2   31    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    8    3    7   44                                       
CONECT    7    6   45   46   47                                       
CONECT    8    6   48   49   50                                       
CONECT    9   36   17   51   52                                       
CONECT   10   30   11   11   12                                       
CONECT   11   28   10   10   53                                       
CONECT   12   10   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   60   61                                       
CONECT   16   15   18   62   63                                       
CONECT   17    9   21   25   64                                       
CONECT   18   16   19   65   66                                       
CONECT   19   20   18   67   68                                       
CONECT   20   19   69   70   71                                       
CONECT   21   22   34   17   72                                       
CONECT   22   35   23   21   73                                       
CONECT   23   36   22   24   74                                       
CONECT   24   23   37   75   76                                       
CONECT   25   17   26   77   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   27   29   11                                            
CONECT   29   28   30   30                                            
CONECT   30   29   29   10                                            
CONECT   31    4   38   83                                            
CONECT   32   38   38                                                 
CONECT   33   38   38                                                 
CONECT   34   21   84                                                 
CONECT   35   22   85                                                 
CONECT   36   23    9                                                 
CONECT   37   24   38                                                 
CONECT   38   37   31   32   32                                       
CONECT   38   33   33                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   31                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
