COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.774   1.426   0.227  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.301   2.703  -1.322  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.970   2.987  -0.835  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.348   1.743   0.684  1.00  0.00           C  
HETATM    5  C   UNL     1       0.764   2.598  -0.908  1.00  0.00           C  
HETATM    6  C   UNL     1       1.860   0.468  -0.798  1.00  0.00           C  
HETATM    7  C   UNL     1       3.103   2.497  -0.385  1.00  0.00           C  
HETATM    8  C   UNL     1       4.285   0.307  -0.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.401  -3.961  -0.704  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.405  -4.824   1.327  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.186  -2.534   1.240  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.907  -1.974   0.612  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.663  -0.556   1.138  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.161  -0.238   1.368  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.376  -1.660   0.840  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.452   1.966  -0.144  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.066   3.206  -1.664  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.118   2.259   0.342  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.602   2.810  -0.881  1.00  0.00           C  
HETATM   20  C   UNL     1       0.720   1.212  -1.010  1.00  0.00           C  
HETATM   21  C   UNL     1       3.059   1.106  -0.481  1.00  0.00           C  
HETATM   22  C   UNL     1       1.960   3.237  -0.597  1.00  0.00           C  
HETATM   23  C   UNL     1       5.345  -1.735  -0.138  1.00  0.00           C  
HETATM   24  C   UNL     1       6.528   0.199   0.266  1.00  0.00           C  
HETATM   25  C   UNL     1       8.264   0.320   1.844  1.00  0.00           C  
HETATM   26  C   UNL     1       9.606   1.003   2.123  1.00  0.00           C  
HETATM   27  C   UNL     1       8.883   2.952   0.933  1.00  0.00           C  
HETATM   28  C   UNL     1       7.534   2.289   0.641  1.00  0.00           C  
HETATM   29  C   UNL     1       6.281  -3.593  -1.230  1.00  0.00           C  
HETATM   30  C   UNL     1       6.244  -5.123  -1.271  1.00  0.00           C  
HETATM   31  C   UNL     1       3.936  -5.102  -0.631  1.00  0.00           C  
HETATM   32  C   UNL     1       3.950  -3.572  -0.583  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.404  -3.906   0.764  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.863   0.254   0.886  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.721   3.498  -1.184  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.392   3.351  -1.123  1.00  0.00           N  
HETATM   37  N   UNL     1       4.244  -1.019  -0.343  1.00  0.00           N  
HETATM   38  N   UNL     1       6.487  -1.125   0.164  1.00  0.00           N  
HETATM   39  N   UNL     1       5.428   0.916   0.056  1.00  0.00           N  
HETATM   40  N   UNL     1       7.714   0.831   0.580  1.00  0.00           N  
HETATM   41  N   UNL     1       5.304  -3.110  -0.243  1.00  0.00           N  
HETATM   42  O   UNL     1      -8.784   2.040  -0.060  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.686   1.701  -0.389  1.00  0.00           O  
HETATM   44  O   UNL     1       9.417   2.421   2.148  1.00  0.00           O  
HETATM   45  O   UNL     1       4.914  -5.554  -1.572  1.00  0.00           O  
HETATM   46  H   UNL     1      -7.151   2.873  -1.965  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.462   1.179   1.597  1.00  0.00           H  
HETATM   48  H   UNL     1       1.824  -0.609  -0.873  1.00  0.00           H  
HETATM   49  H   UNL     1       4.030   2.993  -0.140  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.565  -4.988  -1.030  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.196  -3.325  -1.093  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.440  -3.610  -1.079  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.477  -4.816   2.414  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.590  -5.833   0.958  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.408  -4.505   1.026  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.086  -2.537   2.325  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.062  -2.611   0.878  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.015  -1.947  -0.472  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.464  -0.592   2.209  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.810  -0.116   0.621  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.956   0.412   1.003  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.169  -0.248   2.458  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.462  -1.635  -0.246  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.290  -2.072   1.268  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.948   3.771  -2.576  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.267   2.099   0.987  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.209   0.719  -1.255  1.00  0.00           H  
HETATM   68  H   UNL     1       1.993   4.314  -0.523  1.00  0.00           H  
HETATM   69  H   UNL     1       8.413  -0.757   1.767  1.00  0.00           H  
HETATM   70  H   UNL     1       7.571   0.535   2.657  1.00  0.00           H  
HETATM   71  H   UNL     1       9.991   0.670   3.087  1.00  0.00           H  
HETATM   72  H   UNL     1      10.316   0.744   1.338  1.00  0.00           H  
HETATM   73  H   UNL     1       9.573   2.750   0.113  1.00  0.00           H  
HETATM   74  H   UNL     1       8.746   4.028   1.035  1.00  0.00           H  
HETATM   75  H   UNL     1       6.829   2.536   1.435  1.00  0.00           H  
HETATM   76  H   UNL     1       7.150   2.649  -0.313  1.00  0.00           H  
HETATM   77  H   UNL     1       7.280  -3.261  -0.945  1.00  0.00           H  
HETATM   78  H   UNL     1       6.033  -3.196  -2.214  1.00  0.00           H  
HETATM   79  H   UNL     1       6.926  -5.483  -2.041  1.00  0.00           H  
HETATM   80  H   UNL     1       6.545  -5.521  -0.302  1.00  0.00           H  
HETATM   81  H   UNL     1       4.170  -5.500   0.357  1.00  0.00           H  
HETATM   82  H   UNL     1       2.949  -5.448  -0.938  1.00  0.00           H  
HETATM   83  H   UNL     1       3.663  -3.175  -1.557  1.00  0.00           H  
HETATM   84  H   UNL     1       3.246  -3.225   0.174  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.657   4.349  -1.645  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.324   4.262  -1.447  1.00  0.00           H  
CONECT    1   42   42   34   16                                       
CONECT    2   16   17   17   46                                       
CONECT    3   18   18   17   35                                       
CONECT    4   16   16   18   47                                       
CONECT    5   20   36   22   22                                       
CONECT    6   20   20   21   48                                       
CONECT    7   21   21   22   49                                       
CONECT    8   37   21   39   39                                       
CONECT    9   33   50   51   52                                       
CONECT   10   33   53   54   55                                       
CONECT   11   12   33   15   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13   12   34   59   60                                       
CONECT   14   34   15   61   62                                       
CONECT   15   11   14   63   64                                       
CONECT   16    1    4    4    2                                       
CONECT   17    2    2    3   65                                       
CONECT   18    4    3    3   66                                       
CONECT   19   43   43   35   36                                       
CONECT   20    6    6    5   67                                       
CONECT   21    6    8    7    7                                       
CONECT   22    5    5    7   68                                       
CONECT   23   41   37   37   38                                       
CONECT   24   38   38   39   40                                       
CONECT   25   40   26   69   70                                       
CONECT   26   25   44   71   72                                       
CONECT   27   28   44   73   74                                       
CONECT   28   40   27   75   76                                       
CONECT   29   41   30   77   78                                       
CONECT   30   29   45   79   80                                       
CONECT   31   32   45   81   82                                       
CONECT   32   41   31   83   84                                       
CONECT   33   10   11    9                                            
CONECT   34   13    1   14                                            
CONECT   35    3   19   85                                            
CONECT   36   19    5   86                                            
CONECT   37   23   23    8                                            
CONECT   38   23   24   24                                            
CONECT   39    8    8   24                                            
CONECT   40   24   28   25                                            
CONECT   41   32   29   23                                            
CONECT   42    1    1                                                 
CONECT   43   19   19                                                 
CONECT   44   27   26                                                 
CONECT   45   30   31                                                 
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
