COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.498 -11.121  -3.951  1.00  0.00           O  
HETATM    2  C   UNL     1       3.184 -10.093  -3.367  1.00  0.00           C  
HETATM    3  N   UNL     1       1.883  -9.645  -3.113  1.00  0.00           N  
HETATM    4  C   UNL     1       1.864  -8.417  -2.341  1.00  0.00           C  
HETATM    5  C   UNL     1       3.356  -8.037  -2.208  1.00  0.00           C  
HETATM    6  N   UNL     1       4.059  -9.149  -2.817  1.00  0.00           N  
HETATM    7  C   UNL     1       3.651  -6.726  -2.933  1.00  0.00           C  
HETATM    8  C   UNL     1       1.089  -7.269  -2.994  1.00  0.00           C  
HETATM    9  S   UNL     1       2.297  -6.507  -4.109  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.187  -7.663  -3.717  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.902  -6.443  -4.298  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.202  -6.844  -5.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.953  -5.640  -5.567  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.417  -4.655  -4.507  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.728  -4.986  -3.366  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.467  -3.359  -4.999  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.902  -2.247  -4.187  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.738  -1.602  -3.446  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.184  -0.403  -2.601  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.028   0.239  -1.841  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.404  -0.671  -0.921  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.318  -0.342  -0.119  1.00  0.00           C  
HETATM   23  N   UNL     1       0.175  -1.292   0.707  1.00  0.00           N  
HETATM   24  C   UNL     1       1.218  -0.707   1.366  1.00  0.00           C  
HETATM   25  C   UNL     1       1.277   0.588   0.875  1.00  0.00           C  
HETATM   26  N   UNL     1       0.297   0.796  -0.062  1.00  0.00           N  
HETATM   27  C   UNL     1       2.271   1.412   1.392  1.00  0.00           C  
HETATM   28  N   UNL     1       2.404   2.740   0.950  1.00  0.00           N  
HETATM   29  N   UNL     1       2.017  -1.261   2.291  1.00  0.00           N  
HETATM   30  C   UNL     1       2.937  -0.368   2.716  1.00  0.00           C  
HETATM   31  N   UNL     1       3.114   0.919   2.331  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.285  -2.667   0.888  1.00  0.00           C  
HETATM   33  C   UNL     1       0.454  -3.686   0.033  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.086  -3.771  -1.270  1.00  0.00           O  
HETATM   35  C   UNL     1       0.261  -4.954   0.841  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.058  -5.458   0.627  1.00  0.00           O  
HETATM   37  C   UNL     1       0.366  -4.445   2.275  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.085  -3.071   2.256  1.00  0.00           O  
HETATM   39  C   UNL     1       1.790  -4.476   2.812  1.00  0.00           C  
HETATM   40  N   UNL     1       1.817  -3.980   4.149  1.00  0.00           N  
HETATM   41  C   UNL     1       3.170  -3.999   4.717  1.00  0.00           C  
HETATM   42  C   UNL     1       3.166  -3.527   6.132  1.00  0.00           C  
HETATM   43  H   UNL     1       1.052 -10.169  -3.370  1.00  0.00           H  
HETATM   44  H   UNL     1       5.070  -9.242  -2.834  1.00  0.00           H  
HETATM   45  H   UNL     1       1.428  -8.669  -1.367  1.00  0.00           H  
HETATM   46  H   UNL     1       3.678  -7.983  -1.163  1.00  0.00           H  
HETATM   47  H   UNL     1       0.843  -6.520  -2.233  1.00  0.00           H  
HETATM   48  H   UNL     1       3.620  -5.888  -2.229  1.00  0.00           H  
HETATM   49  H   UNL     1       4.620  -6.718  -3.441  1.00  0.00           H  
HETATM   50  H   UNL     1       0.057  -8.369  -4.520  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.850  -8.185  -3.017  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.241  -5.937  -5.011  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.113  -5.729  -3.493  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.844  -7.402  -4.309  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.961  -7.523  -5.829  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.331  -5.116  -6.302  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.851  -5.995  -6.088  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.188  -3.186  -5.960  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.664  -2.609  -3.489  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.373  -1.517  -4.853  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.992  -1.272  -4.179  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.258  -2.351  -2.806  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.961  -0.716  -1.893  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.631   0.352  -3.259  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.392   1.087  -1.253  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.257   0.605  -2.526  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.776  -1.615  -0.847  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.360  -2.642   0.678  1.00  0.00           H  
HETATM   69  H   UNL     1       1.862   3.055   0.168  1.00  0.00           H  
HETATM   70  H   UNL     1       3.105   3.328   1.360  1.00  0.00           H  
HETATM   71  H   UNL     1       1.520  -3.439  -0.040  1.00  0.00           H  
HETATM   72  H   UNL     1       0.656  -3.926  -1.881  1.00  0.00           H  
HETATM   73  H   UNL     1       0.967  -5.750   0.589  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.660  -4.707   0.740  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.289  -4.999   2.955  1.00  0.00           H  
HETATM   76  H   UNL     1       2.415  -3.848   2.188  1.00  0.00           H  
HETATM   77  H   UNL     1       2.152  -5.496   2.804  1.00  0.00           H  
HETATM   78  H   UNL     1       1.473  -3.010   4.187  1.00  0.00           H  
HETATM   79  H   UNL     1       3.544  -5.025   4.657  1.00  0.00           H  
HETATM   80  H   UNL     1       3.801  -3.357   4.096  1.00  0.00           H  
HETATM   81  H   UNL     1       2.809  -2.493   6.198  1.00  0.00           H  
HETATM   82  H   UNL     1       2.533  -4.168   6.755  1.00  0.00           H  
HETATM   83  H   UNL     1       4.184  -3.559   6.537  1.00  0.00           H  
HETATM   84  H   UNL     1       3.632  -0.732   3.466  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   43                                            
CONECT    4    3    5    8   45                                       
CONECT    5    4    6    7   46                                       
CONECT    6    2    5   44                                            
CONECT    7    5    9   48   49                                       
CONECT    8    4    9   10   47                                       
CONECT    9    7    8                                                 
CONECT   10    8   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   58                                            
CONECT   17   16   18   59   60                                       
CONECT   18   17   19   61   62                                       
CONECT   19   18   20   63   64                                       
CONECT   20   19   21   65   66                                       
CONECT   21   20   22   67                                            
CONECT   22   21   23   26   26                                       
CONECT   23   22   24   32                                            
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   27                                       
CONECT   26   22   22   25                                            
CONECT   27   25   28   31   31                                       
CONECT   28   27   69   70                                            
CONECT   29   24   30   30                                            
CONECT   30   29   29   84   31                                       
CONECT   31   27   27   30                                            
CONECT   32   23   33   38   68                                       
CONECT   33   32   34   35   71                                       
CONECT   34   33   72                                                 
CONECT   35   33   36   37   73                                       
CONECT   36   35   74                                                 
CONECT   37   35   38   39   75                                       
CONECT   38   32   37                                                 
CONECT   39   37   40   76   77                                       
CONECT   40   39   41   78                                            
CONECT   41   40   42   79   80                                       
CONECT   42   41   81   82   83                                       
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   32                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   30                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
