COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.590  -1.154  -1.180  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.468  -2.046  -0.391  1.00  0.00           N  
HETATM    3  C   UNL     1       0.975  -2.231  -0.565  1.00  0.00           C  
HETATM    4  C   UNL     1       1.158  -2.352   1.925  1.00  0.00           C  
HETATM    5  C   UNL     1       3.319  -1.107   1.816  1.00  0.00           C  
HETATM    6  C   UNL     1       4.991  -1.798   0.311  1.00  0.00           C  
HETATM    7  C   UNL     1       6.913  -2.990  -0.133  1.00  0.00           C  
HETATM    8  C   UNL     1       7.097  -0.701   0.057  1.00  0.00           C  
HETATM    9  C   UNL     1       7.262   1.755   0.266  1.00  0.00           C  
HETATM   10  C   UNL     1       8.602   3.432  -1.021  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.349   0.677   1.993  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.834   0.580   1.806  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.365  -0.832   2.164  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.480   0.880   0.348  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.805  -0.564  -0.734  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.321  -0.760  -0.902  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.611  -1.484   0.054  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.269  -1.679  -0.069  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.199  -1.336  -1.341  1.00  0.00           C  
HETATM   20  C   UNL     1       1.531  -3.040   0.609  1.00  0.00           C  
HETATM   21  C   UNL     1       1.803  -0.965   1.968  1.00  0.00           C  
HETATM   22  C   UNL     1       3.055  -3.122   0.496  1.00  0.00           C  
HETATM   23  C   UNL     1       8.319   2.827   0.189  1.00  0.00           C  
HETATM   24  C   UNL     1       9.575   4.411  -1.093  1.00  0.00           C  
HETATM   25  C   UNL     1      10.261   4.789   0.047  1.00  0.00           C  
HETATM   26  C   UNL     1       9.972   4.189   1.258  1.00  0.00           C  
HETATM   27  C   UNL     1       9.003   3.205   1.329  1.00  0.00           C  
HETATM   28  C   UNL     1       5.730  -0.619   0.299  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.571  -0.804  -2.447  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.292  -0.093  -3.402  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.634   0.097  -3.271  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.311  -0.424  -2.155  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.696  -0.242  -1.995  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.107   1.878  -0.812  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.252   2.361   0.070  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.037   3.371   1.194  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.499   3.798   0.970  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.361   3.262  -0.468  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.054   0.665   0.031  1.00  0.00           N1+
HETATM   40  N   UNL     1       3.624  -1.770   0.541  1.00  0.00           N  
HETATM   41  N   UNL     1       5.615  -2.954   0.092  1.00  0.00           N  
HETATM   42  N   UNL     1       7.647  -1.896  -0.152  1.00  0.00           N  
HETATM   43  N   UNL     1       7.877   0.445   0.034  1.00  0.00           N  
HETATM   44  O   UNL     1       0.978  -4.357   0.585  1.00  0.00           O  
HETATM   45  H   UNL     1       1.163  -2.766  -1.496  1.00  0.00           H  
HETATM   46  H   UNL     1       1.464  -1.258  -0.600  1.00  0.00           H  
HETATM   47  H   UNL     1       0.074  -2.252   1.990  1.00  0.00           H  
HETATM   48  H   UNL     1       1.519  -2.949   2.763  1.00  0.00           H  
HETATM   49  H   UNL     1       3.781  -0.120   1.832  1.00  0.00           H  
HETATM   50  H   UNL     1       3.712  -1.705   2.639  1.00  0.00           H  
HETATM   51  H   UNL     1       7.389  -3.944  -0.306  1.00  0.00           H  
HETATM   52  H   UNL     1       6.800   1.770   1.253  1.00  0.00           H  
HETATM   53  H   UNL     1       6.502   1.939  -0.493  1.00  0.00           H  
HETATM   54  H   UNL     1       8.067   3.136  -1.911  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.836  -0.125   1.439  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.590   0.585   3.052  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.700   1.640   1.623  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.340   1.303   2.456  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.275  -0.867   2.151  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.725  -1.093   3.159  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.760  -1.541   1.437  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.160   0.403  -0.358  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.275  -0.484  -1.714  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.226  -1.416  -0.198  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.133  -1.896   0.905  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.730  -2.234   0.684  1.00  0.00           H  
HETATM   67  H   UNL     1       1.412  -0.356   1.153  1.00  0.00           H  
HETATM   68  H   UNL     1       1.577  -0.487   2.921  1.00  0.00           H  
HETATM   69  H   UNL     1       3.449  -3.710   1.325  1.00  0.00           H  
HETATM   70  H   UNL     1       3.324  -3.598  -0.447  1.00  0.00           H  
HETATM   71  H   UNL     1       9.800   4.881  -2.039  1.00  0.00           H  
HETATM   72  H   UNL     1      11.021   5.554  -0.009  1.00  0.00           H  
HETATM   73  H   UNL     1      10.508   4.484   2.148  1.00  0.00           H  
HETATM   74  H   UNL     1       8.778   2.736   2.275  1.00  0.00           H  
HETATM   75  H   UNL     1       5.254   0.335   0.472  1.00  0.00           H  
HETATM   76  H   UNL     1       0.493  -0.941  -2.574  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.779   0.314  -4.260  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.175   0.656  -4.020  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.259   0.317  -2.728  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.404   1.679  -1.841  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.213   2.497  -0.742  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.859   2.912   2.166  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.311   4.147   0.952  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.214   3.241   1.575  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.651   4.876   1.021  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.011   4.009  -1.181  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.237   2.717  -0.818  1.00  0.00           H  
HETATM   88  H   UNL     1       8.830   0.380  -0.135  1.00  0.00           H  
HETATM   89  H   UNL     1       0.013  -4.380   0.655  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.914  -2.419   0.385  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.447   0.759   0.831  1.00  0.00           H  
CONECT    1   32   32   18   19                                       
CONECT    2   19    3   90                                            
CONECT    3    2   20   45   46                                       
CONECT    4   21   20   47   48                                       
CONECT    5   21   40   49   50                                       
CONECT    6   28   40   41   41                                       
CONECT    7   42   42   41   51                                       
CONECT    8   43   28   28   42                                       
CONECT    9   23   43   52   53                                       
CONECT   10   23   23   24   54                                       
CONECT   11   12   55   56   57                                       
CONECT   12   13   11   14   58                                       
CONECT   13   12   59   60   61                                       
CONECT   14   12   39   35   62                                       
CONECT   15   39   16   63   64                                       
CONECT   16   15   33   33   17                                       
CONECT   17   16   18   18   65                                       
CONECT   18   17   17    1   66                                       
CONECT   19    1   29   29    2                                       
CONECT   20   22    4    3   44                                       
CONECT   21    5    4   67   68                                       
CONECT   22   40   20   69   70                                       
CONECT   23   27    9   10   10                                       
CONECT   24   25   25   10   71                                       
CONECT   25   26   24   24   72                                       
CONECT   26   27   27   25   73                                       
CONECT   27   26   26   23   74                                       
CONECT   28    8    8    6   75                                       
CONECT   29   30   19   19   76                                       
CONECT   30   31   31   29   77                                       
CONECT   31   32   30   30   78                                       
CONECT   32   33   31    1    1                                       
CONECT   33   16   16   32   79                                       
CONECT   34   39   35   80   81                                       
CONECT   35   14   38   34   36                                       
CONECT   36   35   37   82   83                                       
CONECT   37   38   36   84   85                                       
CONECT   38   35   37   86   87                                       
CONECT   39   14   15   34   91                                       
CONECT   40    5    6   22                                            
CONECT   41    6    6    7                                            
CONECT   42    8    7    7                                            
CONECT   43    9    8   88                                            
CONECT   44   20   89                                                 
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90    2                                                      
CONECT   91   39                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
