COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.759   3.878   0.608  1.00  0.00           C  
HETATM    2  C   UNL     1       5.691   4.117   1.560  1.00  0.00           C  
HETATM    3  C   UNL     1       6.517   5.368   1.717  1.00  0.00           C  
HETATM    4  O   UNL     1       5.736   3.026   2.336  1.00  0.00           O  
HETATM    5  N   UNL     1       4.956   2.179   1.967  1.00  0.00           N  
HETATM    6  C   UNL     1       4.283   2.573   0.915  1.00  0.00           C  
HETATM    7  C   UNL     1       3.243   1.809   0.184  1.00  0.00           C  
HETATM    8  O   UNL     1       2.702   2.296  -0.788  1.00  0.00           O  
HETATM    9  C   UNL     1       1.948  -0.222  -0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       0.544   0.082   0.273  1.00  0.00           C  
HETATM   11  N   UNL     1       2.897   0.574   0.600  1.00  0.00           N  
HETATM   12  C   UNL     1       2.240  -1.710   0.025  1.00  0.00           C  
HETATM   13  C   UNL     1       3.591  -2.042  -0.554  1.00  0.00           C  
HETATM   14  O   UNL     1       4.211  -1.199  -1.168  1.00  0.00           O  
HETATM   15  N   UNL     1       4.111  -3.274  -0.389  1.00  0.00           N  
HETATM   16  C   UNL     1       5.424  -3.597  -0.952  1.00  0.00           C  
HETATM   17  C   UNL     1       5.777  -5.049  -0.624  1.00  0.00           C  
HETATM   18  C   UNL     1       5.812  -5.236   0.894  1.00  0.00           C  
HETATM   19  C   UNL     1       4.722  -5.978  -1.228  1.00  0.00           C  
HETATM   20  C   UNL     1       7.149  -5.386  -1.212  1.00  0.00           C  
HETATM   21  O   UNL     1       0.354   0.885   1.162  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.502  -0.539  -0.309  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.867  -0.244   0.133  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.760  -1.418  -0.175  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.301  -2.405  -0.711  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.384   0.996  -0.601  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.553   2.214  -0.191  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.062   3.435  -0.913  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.055   4.210  -0.345  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.534   3.779  -2.144  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.521   5.330  -1.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.001   4.899  -2.806  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.994   5.674  -2.239  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.937  -2.513  -0.155  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.341  -2.209   0.299  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.738  -2.534   1.583  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.917  -1.651   1.133  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.231  -1.601  -0.567  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.069  -1.372   0.144  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.026  -2.255   2.000  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.322  -1.347   1.587  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.519  -1.322  -0.150  1.00  0.00           C  
HETATM   43  H   UNL     1       4.446   4.529  -0.196  1.00  0.00           H  
HETATM   44  H   UNL     1       5.991   6.072   2.362  1.00  0.00           H  
HETATM   45  H   UNL     1       7.479   5.115   2.162  1.00  0.00           H  
HETATM   46  H   UNL     1       6.677   5.822   0.739  1.00  0.00           H  
HETATM   47  H   UNL     1       2.049   0.025  -1.238  1.00  0.00           H  
HETATM   48  H   UNL     1       3.277   0.213   1.416  1.00  0.00           H  
HETATM   49  H   UNL     1       2.236  -1.937   1.091  1.00  0.00           H  
HETATM   50  H   UNL     1       1.475  -2.303  -0.476  1.00  0.00           H  
HETATM   51  H   UNL     1       3.615  -3.948   0.101  1.00  0.00           H  
HETATM   52  H   UNL     1       5.399  -3.464  -2.033  1.00  0.00           H  
HETATM   53  H   UNL     1       6.176  -2.935  -0.522  1.00  0.00           H  
HETATM   54  H   UNL     1       4.835  -4.996   1.312  1.00  0.00           H  
HETATM   55  H   UNL     1       6.064  -6.270   1.127  1.00  0.00           H  
HETATM   56  H   UNL     1       6.564  -4.574   1.324  1.00  0.00           H  
HETATM   57  H   UNL     1       4.697  -5.846  -2.309  1.00  0.00           H  
HETATM   58  H   UNL     1       4.973  -7.013  -0.995  1.00  0.00           H  
HETATM   59  H   UNL     1       3.744  -5.739  -0.809  1.00  0.00           H  
HETATM   60  H   UNL     1       7.901  -4.724  -0.782  1.00  0.00           H  
HETATM   61  H   UNL     1       7.400  -6.420  -0.979  1.00  0.00           H  
HETATM   62  H   UNL     1       7.124  -5.253  -2.293  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.351  -1.181  -1.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.870  -0.058   1.207  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.428   1.164  -0.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.298   0.843  -1.676  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.638   2.366   0.885  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.508   2.046  -0.452  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.470   3.939   0.614  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.758   3.173  -2.588  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.298   5.936  -0.564  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.589   5.168  -3.768  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.359   6.549  -2.757  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.569  -3.396   0.367  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.934  -2.699  -1.229  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.041  -3.005   2.260  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.920  -1.344  -1.568  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.436  -0.583   0.573  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.336  -2.509   3.003  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.967  -2.197   1.364  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.324  -1.161   2.661  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.690  -0.465   1.064  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.216  -0.851  -0.827  1.00  0.00           H  
CONECT    1    6    2    2   43                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2   44   45   46                                       
CONECT    4    2    5                                                 
CONECT    5    4    6    6                                            
CONECT    6    1    5    5    7                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10   12   11   47                                       
CONECT   10    9   22   21   21                                       
CONECT   11    9    7   48                                            
CONECT   12    9   13   49   50                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   51                                            
CONECT   16   15   17   52   53                                       
CONECT   17   16   18   20   19                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   57   58   59                                       
CONECT   20   17   60   61   62                                       
CONECT   21   10   10                                                 
CONECT   22   10   23   63                                            
CONECT   23   24   22   26   64                                       
CONECT   24   39   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   23   65   66                                       
CONECT   27   26   28   67   68                                       
CONECT   28   27   29   30   30                                       
CONECT   29   31   31   28   69                                       
CONECT   30   28   28   32   70                                       
CONECT   31   29   29   33   71                                       
CONECT   32   33   33   30   72                                       
CONECT   33   31   32   32   73                                       
CONECT   34   35   39   74   75                                       
CONECT   35   34   36   36   38                                       
CONECT   36   35   35   40   76                                       
CONECT   37   40   40   41   42                                       
CONECT   38   35   42   42   77                                       
CONECT   39   24   34   78                                            
CONECT   40   36   37   37   79                                       
CONECT   41   37   80   81   82                                       
CONECT   42   37   38   38   83                                       
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
