COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.373   1.217  -1.243  1.00  0.00           C  
HETATM    2  C   UNL     1       4.693   1.978  -1.383  1.00  0.00           C  
HETATM    3  C   UNL     1       5.591   1.666  -0.185  1.00  0.00           C  
HETATM    4  C   UNL     1       4.889   2.095   1.105  1.00  0.00           C  
HETATM    5  C   UNL     1       3.570   1.333   1.245  1.00  0.00           C  
HETATM    6  C   UNL     1       2.671   1.645   0.047  1.00  0.00           C  
HETATM    7  N   UNL     1       2.401   3.089   0.001  1.00  0.00           N  
HETATM    8  C   UNL     1       1.661   3.531   1.211  1.00  0.00           C  
HETATM    9  C   UNL     1       0.996   4.861   0.796  1.00  0.00           C  
HETATM   10  C   UNL     1       0.885   4.791  -0.741  1.00  0.00           C  
HETATM   11  C   UNL     1       1.492   3.425  -1.126  1.00  0.00           C  
HETATM   12  C   UNL     1       1.371   0.895   0.185  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.236   1.615   0.245  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.949   0.012   0.400  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.006  -0.882   0.396  1.00  0.00           N  
HETATM   16  C   UNL     1       1.237  -0.445   0.278  1.00  0.00           C  
HETATM   17  C   UNL     1       2.362  -1.331   0.260  1.00  0.00           C  
HETATM   18  C   UNL     1       3.284  -2.057   0.246  1.00  0.00           C  
HETATM   19  C   UNL     1       4.440  -2.968   0.228  1.00  0.00           C  
HETATM   20  N   UNL     1       5.676  -2.187   0.085  1.00  0.00           N  
HETATM   21  C   UNL     1       6.854  -3.065   0.063  1.00  0.00           C  
HETATM   22  C   UNL     1       8.119  -2.218  -0.086  1.00  0.00           C  
HETATM   23  C   UNL     1       8.495  -1.924  -1.548  1.00  0.00           C  
HETATM   24  C   UNL     1       9.959  -2.148  -1.135  1.00  0.00           C  
HETATM   25  C   UNL     1       9.420  -3.032   0.002  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.395  -0.271   0.517  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.838  -1.584   0.635  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.205  -1.838   0.745  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.122  -0.770   0.737  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.656   0.537   0.618  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.318   0.783   0.516  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.004  -3.058   0.882  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.290  -2.678   0.944  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.379  -1.316   0.859  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.628  -0.551   0.895  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.096  -0.272  -0.535  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.343   0.639  -0.526  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.230   0.116  -1.674  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.445  -1.067  -2.281  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.555  -1.527  -1.184  1.00  0.00           N  
HETATM   41  H   UNL     1       2.733   1.439  -2.097  1.00  0.00           H  
HETATM   42  H   UNL     1       3.573   0.146  -1.209  1.00  0.00           H  
HETATM   43  H   UNL     1       5.193   1.673  -2.302  1.00  0.00           H  
HETATM   44  H   UNL     1       4.492   3.049  -1.418  1.00  0.00           H  
HETATM   45  H   UNL     1       5.792   0.595  -0.151  1.00  0.00           H  
HETATM   46  H   UNL     1       6.531   2.208  -0.285  1.00  0.00           H  
HETATM   47  H   UNL     1       5.530   1.872   1.958  1.00  0.00           H  
HETATM   48  H   UNL     1       4.689   3.165   1.071  1.00  0.00           H  
HETATM   49  H   UNL     1       3.770   0.262   1.279  1.00  0.00           H  
HETATM   50  H   UNL     1       3.070   1.638   2.164  1.00  0.00           H  
HETATM   51  H   UNL     1       0.904   2.796   1.483  1.00  0.00           H  
HETATM   52  H   UNL     1       2.349   3.691   2.040  1.00  0.00           H  
HETATM   53  H   UNL     1       0.005   4.944   1.243  1.00  0.00           H  
HETATM   54  H   UNL     1       1.619   5.704   1.093  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.160   4.840  -1.048  1.00  0.00           H  
HETATM   56  H   UNL     1       1.454   5.600  -1.199  1.00  0.00           H  
HETATM   57  H   UNL     1       2.055   3.507  -2.056  1.00  0.00           H  
HETATM   58  H   UNL     1       0.709   2.673  -1.219  1.00  0.00           H  
HETATM   59  H   UNL     1       4.473  -3.533   1.160  1.00  0.00           H  
HETATM   60  H   UNL     1       4.347  -3.658  -0.611  1.00  0.00           H  
HETATM   61  H   UNL     1       5.643  -1.606  -0.739  1.00  0.00           H  
HETATM   62  H   UNL     1       6.903  -3.630   0.994  1.00  0.00           H  
HETATM   63  H   UNL     1       6.777  -3.755  -0.777  1.00  0.00           H  
HETATM   64  H   UNL     1       8.113  -1.333   0.550  1.00  0.00           H  
HETATM   65  H   UNL     1       8.121  -2.668  -2.253  1.00  0.00           H  
HETATM   66  H   UNL     1       8.280  -0.901  -1.858  1.00  0.00           H  
HETATM   67  H   UNL     1      10.543  -2.695  -1.875  1.00  0.00           H  
HETATM   68  H   UNL     1      10.457  -1.243  -0.786  1.00  0.00           H  
HETATM   69  H   UNL     1       9.952  -2.904   0.945  1.00  0.00           H  
HETATM   70  H   UNL     1       9.300  -4.079  -0.278  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.130  -2.399   0.641  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.356   1.360   0.615  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.967   1.800   0.424  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.631  -4.070   0.923  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.130  -3.349   1.046  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.391  -1.124   1.421  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.462   0.394   1.413  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.295   0.186  -1.114  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.866   0.554   0.426  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.056   1.675  -0.709  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.189  -0.226  -1.286  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.380   0.895  -2.421  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.127  -1.864  -2.576  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.855  -0.734  -3.135  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.058  -2.109  -0.531  1.00  0.00           H  
CONECT    1    6    2   41   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6   12    7    1    5                                       
CONECT    7    8   11    6                                            
CONECT    8    9    7   51   52                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10    7   57   58                                       
CONECT   12   16   16   13    6                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   26   13                                       
CONECT   15   16   14   14                                            
CONECT   16   17   15   12   12                                       
CONECT   17   18   18   18   16                                       
CONECT   18   19   17   17   17                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   21   61                                            
CONECT   21   22   20   62   63                                       
CONECT   22   23   21   25   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   22   24   69   70                                       
CONECT   26   31   14   27   27                                       
CONECT   27   26   26   28   71                                       
CONECT   28   29   29   27   32                                       
CONECT   29   30   34   28   28                                       
CONECT   30   31   31   29   72                                       
CONECT   31   30   30   26   73                                       
CONECT   32   33   33   28   74                                       
CONECT   33   34   32   32   75                                       
CONECT   34   35   29   33                                            
CONECT   35   36   34   76   77                                       
CONECT   36   40   35   37   78                                       
CONECT   37   36   38   79   80                                       
CONECT   38   39   37   81   82                                       
CONECT   39   40   38   83   84                                       
CONECT   40   39   36   85                                            
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
