COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.926  -4.232  -0.384  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.674  -2.828  -0.475  1.00  0.00           O  
HETATM    3  C   UNL     1      -9.336  -2.455  -0.140  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.182  -0.939  -0.272  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.749  -0.539   0.087  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.605   0.877  -0.036  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.382   1.400   0.250  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.345   0.568   0.639  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.103   1.102   0.929  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.892   2.465   0.831  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.923   3.300   0.443  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.169   2.772   0.145  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.182   3.591  -0.242  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.891   4.988  -0.327  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.976   0.196   1.353  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.833   0.295   0.341  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.202  -0.483  -0.923  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.603  -1.910  -0.545  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.375   0.207  -1.623  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.559  -0.296   0.950  1.00  0.00           C  
HETATM   21  C   UNL     1       0.622  -0.033   0.014  1.00  0.00           C  
HETATM   22  N   UNL     1       0.432  -0.780  -1.236  1.00  0.00           N  
HETATM   23  C   UNL     1       1.918  -0.489   0.689  1.00  0.00           C  
HETATM   24  O   UNL     1       1.839  -1.887   0.976  1.00  0.00           O  
HETATM   25  C   UNL     1       3.100  -0.226  -0.247  1.00  0.00           C  
HETATM   26  C   UNL     1       4.409  -0.478   0.503  1.00  0.00           C  
HETATM   27  C   UNL     1       4.521  -1.964   0.850  1.00  0.00           C  
HETATM   28  C   UNL     1       4.487  -2.792  -0.436  1.00  0.00           C  
HETATM   29  C   UNL     1       5.839  -2.218   1.585  1.00  0.00           C  
HETATM   30  C   UNL     1       5.572  -0.076  -0.368  1.00  0.00           C  
HETATM   31  O   UNL     1       5.402   0.125  -1.551  1.00  0.00           O  
HETATM   32  N   UNL     1       6.801   0.058   0.169  1.00  0.00           N  
HETATM   33  C   UNL     1       7.943   0.383  -0.689  1.00  0.00           C  
HETATM   34  C   UNL     1       9.210   0.478   0.163  1.00  0.00           C  
HETATM   35  C   UNL     1       9.036   1.574   1.217  1.00  0.00           C  
HETATM   36  C   UNL     1       9.459  -0.862   0.858  1.00  0.00           C  
HETATM   37  C   UNL     1      10.385   0.812  -0.719  1.00  0.00           C  
HETATM   38  O   UNL     1      10.225   0.960  -1.912  1.00  0.00           O  
HETATM   39  N   UNL     1      11.614   0.947  -0.182  1.00  0.00           N  
HETATM   40  H   UNL     1     -10.263  -4.765  -1.066  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.745  -4.568   0.637  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.963  -4.433  -0.654  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.122  -2.754   0.886  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.640  -2.951  -0.816  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.396  -0.639  -1.298  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.878  -0.442   0.405  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.535  -0.838   1.113  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.053  -1.035  -0.589  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.507  -0.496   0.717  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.921   2.878   1.059  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.617   0.498   2.337  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.334  -0.833   1.397  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.756   4.365   0.367  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.576   5.353   0.650  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.091   5.149  -1.050  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.783   5.527  -0.646  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.663   1.341   0.087  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.345  -0.513  -1.595  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.368   0.171   1.916  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.685  -1.370   1.083  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.472  -1.881   0.113  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.850  -2.470  -1.447  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.774  -2.397  -0.031  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.079   1.214  -1.918  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.656  -0.363  -2.509  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.223   0.263  -0.941  1.00  0.00           H  
HETATM   67  H   UNL     1       0.682   1.033  -0.205  1.00  0.00           H  
HETATM   68  H   UNL     1       1.203  -0.627  -1.870  1.00  0.00           H  
HETATM   69  H   UNL     1       0.305  -1.765  -1.054  1.00  0.00           H  
HETATM   70  H   UNL     1       2.059   0.065   1.617  1.00  0.00           H  
HETATM   71  H   UNL     1       1.785  -2.447   0.190  1.00  0.00           H  
HETATM   72  H   UNL     1       3.039  -0.895  -1.106  1.00  0.00           H  
HETATM   73  H   UNL     1       3.070   0.808  -0.589  1.00  0.00           H  
HETATM   74  H   UNL     1       4.422   0.111   1.420  1.00  0.00           H  
HETATM   75  H   UNL     1       3.687  -2.252   1.490  1.00  0.00           H  
HETATM   76  H   UNL     1       5.261  -2.438  -1.117  1.00  0.00           H  
HETATM   77  H   UNL     1       4.663  -3.841  -0.198  1.00  0.00           H  
HETATM   78  H   UNL     1       3.511  -2.686  -0.910  1.00  0.00           H  
HETATM   79  H   UNL     1       5.935  -1.515   2.412  1.00  0.00           H  
HETATM   80  H   UNL     1       5.848  -3.237   1.972  1.00  0.00           H  
HETATM   81  H   UNL     1       6.672  -2.085   0.895  1.00  0.00           H  
HETATM   82  H   UNL     1       6.929  -0.060   1.123  1.00  0.00           H  
HETATM   83  H   UNL     1       8.068  -0.398  -1.439  1.00  0.00           H  
HETATM   84  H   UNL     1       7.766   1.338  -1.184  1.00  0.00           H  
HETATM   85  H   UNL     1       8.186   1.332   1.855  1.00  0.00           H  
HETATM   86  H   UNL     1       9.938   1.641   1.824  1.00  0.00           H  
HETATM   87  H   UNL     1       8.858   2.529   0.722  1.00  0.00           H  
HETATM   88  H   UNL     1       9.583  -1.643   0.108  1.00  0.00           H  
HETATM   89  H   UNL     1      10.362  -0.795   1.465  1.00  0.00           H  
HETATM   90  H   UNL     1       8.609  -1.104   1.497  1.00  0.00           H  
HETATM   91  H   UNL     1      11.743   0.828   0.772  1.00  0.00           H  
HETATM   92  H   UNL     1      12.371   1.162  -0.750  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   12   53                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   54   55   56                                       
CONECT   15    9   16   51   52                                       
CONECT   16   15   17   20   57                                       
CONECT   17   16   18   19   58                                       
CONECT   18   17   61   62   63                                       
CONECT   19   17   64   65   66                                       
CONECT   20   16   21   59   60                                       
CONECT   21   20   22   23   67                                       
CONECT   22   21   68   69                                            
CONECT   23   21   24   25   70                                       
CONECT   24   23   71                                                 
CONECT   25   23   26   72   73                                       
CONECT   26   25   27   30   74                                       
CONECT   27   26   28   29   75                                       
CONECT   28   27   76   77   78                                       
CONECT   29   27   79   80   81                                       
CONECT   30   26   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   82                                            
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   36   37                                       
CONECT   35   34   85   86   87                                       
CONECT   36   34   88   89   90                                       
CONECT   37   34   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   91   92                                            
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
