COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.771   1.023  -2.323  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.841   1.750  -0.784  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.045   2.933  -0.231  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.990   4.109   0.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.188   5.371   0.419  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.119   6.020   1.467  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.866   3.832   1.225  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.386   2.097  -2.146  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.399   1.399  -2.654  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.977   0.283  -1.893  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.506  -1.528  -1.606  1.00  0.00           C  
HETATM   12  C   UNL     1       8.327   0.960  -1.895  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.458  -2.611  -1.561  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.095  -3.125  -0.413  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.045  -4.206  -0.370  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.934  -3.800   0.599  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.128  -2.245   0.864  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.168  -3.405   0.917  1.00  0.00           C  
HETATM   19  C   UNL     1       0.518  -3.682   2.085  1.00  0.00           C  
HETATM   20  C   UNL     1       1.400  -4.746   2.133  1.00  0.00           C  
HETATM   21  C   UNL     1       1.595  -5.533   1.014  1.00  0.00           C  
HETATM   22  C   UNL     1       0.909  -5.256  -0.154  1.00  0.00           C  
HETATM   23  C   UNL     1       7.851   0.465  -0.729  1.00  0.00           C  
HETATM   24  C   UNL     1       0.023  -4.196  -0.201  1.00  0.00           C  
HETATM   25  C   UNL     1       2.970   1.268   1.957  1.00  0.00           C  
HETATM   26  C   UNL     1       1.955   0.863   3.028  1.00  0.00           C  
HETATM   27  C   UNL     1       4.327   1.530   2.614  1.00  0.00           C  
HETATM   28  C   UNL     1       6.443   0.644  -0.831  1.00  0.00           C  
HETATM   29  C   UNL     1       5.422   0.272   0.179  1.00  0.00           C  
HETATM   30  C   UNL     1       3.109   0.140   0.933  1.00  0.00           C  
HETATM   31  C   UNL     1       1.785  -0.084   0.250  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.450  -1.052   0.190  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.368   0.142   0.242  1.00  0.00           C  
HETATM   34  N   UNL     1       4.117   0.507  -0.064  1.00  0.00           N  
HETATM   35  N   UNL     1       0.798  -0.740   0.891  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.956   0.572  -0.911  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.914   4.918   2.020  1.00  0.00           N  
HETATM   38  N   UNL     1       6.231   1.203  -1.996  1.00  0.00           N  
HETATM   39  O   UNL     1       5.762  -0.244   1.225  1.00  0.00           O  
HETATM   40  O   UNL     1       1.607   0.326  -0.878  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.580   0.711   1.291  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.440   2.786   1.440  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.522  -0.010  -0.805  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.012  -0.416  -2.401  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.287  -2.621   0.116  1.00  0.00           O  
HETATM   46  O   UNL     1       7.266   1.389  -2.592  1.00  0.00           O  
HETATM   47  H   UNL     1      10.032   0.109  -2.856  1.00  0.00           H  
HETATM   48  H   UNL     1       9.918   1.881  -2.979  1.00  0.00           H  
HETATM   49  H   UNL     1      10.406   1.125  -1.443  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.665   1.517  -0.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.565   2.643   0.703  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.284   3.229  -0.954  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.600   4.305  -0.857  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.229   5.102   0.862  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.049   6.029  -0.439  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.530   6.492   2.253  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.769   6.755   0.991  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.955   2.911  -2.709  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.793   1.650  -3.628  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.417  -1.921  -2.057  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.719  -1.185  -0.594  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.006  -2.962  -2.478  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.546  -2.774   0.503  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.498  -5.138  -0.034  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.626  -4.344  -1.367  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.363  -3.602   1.582  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.206  -4.608   0.676  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.423  -1.971   1.877  1.00  0.00           H  
HETATM   69  H   UNL     1       0.366  -3.067   2.959  1.00  0.00           H  
HETATM   70  H   UNL     1       1.936  -4.962   3.045  1.00  0.00           H  
HETATM   71  H   UNL     1       2.284  -6.364   1.051  1.00  0.00           H  
HETATM   72  H   UNL     1       1.062  -5.871  -1.029  1.00  0.00           H  
HETATM   73  H   UNL     1       8.410   0.034   0.089  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.516  -3.983  -1.112  1.00  0.00           H  
HETATM   75  H   UNL     1       2.628   2.173   1.456  1.00  0.00           H  
HETATM   76  H   UNL     1       2.319  -0.016   3.560  1.00  0.00           H  
HETATM   77  H   UNL     1       1.822   1.684   3.732  1.00  0.00           H  
HETATM   78  H   UNL     1       1.001   0.631   2.555  1.00  0.00           H  
HETATM   79  H   UNL     1       5.050   1.819   1.852  1.00  0.00           H  
HETATM   80  H   UNL     1       4.228   2.334   3.344  1.00  0.00           H  
HETATM   81  H   UNL     1       4.669   0.624   3.115  1.00  0.00           H  
HETATM   82  H   UNL     1       3.415  -0.775   1.440  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.232  -1.298  -0.849  1.00  0.00           H  
HETATM   84  H   UNL     1       3.846   0.919  -0.899  1.00  0.00           H  
HETATM   85  H   UNL     1       0.913  -1.005   1.817  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.803   0.133  -1.762  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.413   4.967   2.851  1.00  0.00           H  
CONECT    1   12   47   48   49                                       
CONECT    2    8    3   36   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5    7   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5   37   56   57                                       
CONECT    7   42   42    4   37                                       
CONECT    8    9    9    2   58                                       
CONECT    9   10    8    8   59                                       
CONECT   10   44   43   43    9                                       
CONECT   11   44   13   60   61                                       
CONECT   12   46   23   23    1                                       
CONECT   13   11   14   14   62                                       
CONECT   14   13   13   15   63                                       
CONECT   15   14   16   64   65                                       
CONECT   16   15   45   66   67                                       
CONECT   17   45   32   18   68                                       
CONECT   18   17   24   24   19                                       
CONECT   19   18   20   20   69                                       
CONECT   20   19   19   21   70                                       
CONECT   21   22   22   20   71                                       
CONECT   22   24   21   21   72                                       
CONECT   23   28   12   12   73                                       
CONECT   24   18   18   22   74                                       
CONECT   25   27   30   26   75                                       
CONECT   26   25   76   77   78                                       
CONECT   27   25   79   80   81                                       
CONECT   28   29   38   38   23                                       
CONECT   29   34   39   39   28                                       
CONECT   30   31   25   34   82                                       
CONECT   31   40   40   35   30                                       
CONECT   32   33   17   35   83                                       
CONECT   33   36   41   41   32                                       
CONECT   34   30   29   84                                            
CONECT   35   32   31   85                                            
CONECT   36    2   33   86                                            
CONECT   37    7    6   87                                            
CONECT   38   28   28   46                                            
CONECT   39   29   29                                                 
CONECT   40   31   31                                                 
CONECT   41   33   33                                                 
CONECT   42    7    7                                                 
CONECT   43   10   10                                                 
CONECT   44   10   11                                                 
CONECT   45   16   17                                                 
CONECT   46   38   12                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
