COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.462  -1.877   0.174  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.735  -1.521  -0.370  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.293  -0.445   0.387  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.561   0.008  -0.091  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.573  -1.139  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.052  -2.324  -0.834  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.673  -2.729  -0.305  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.045   1.173   0.774  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.162   2.285   0.613  1.00  0.00           O  
HETATM   10  O   UNL     1      -8.955  -3.425  -0.709  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.146  -3.787  -1.108  1.00  0.00           O  
HETATM   12  O   UNL     1      -8.742  -1.537   1.347  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.477  -0.945   0.097  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.736   0.290  -0.486  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.741   1.238  -0.566  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.467   0.956  -0.058  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.212  -0.289   0.528  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.216  -1.228   0.608  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.401   1.965  -0.141  1.00  0.00           C  
HETATM   20  C   UNL     1       0.829   1.690   0.350  1.00  0.00           C  
HETATM   21  C   UNL     1       1.884   2.612   0.168  1.00  0.00           C  
HETATM   22  N   UNL     1       3.123   2.447   0.535  1.00  0.00           N1+
HETATM   23  C   UNL     1       3.930   3.500   0.233  1.00  0.00           C  
HETATM   24  C   UNL     1       3.194   4.504  -0.407  1.00  0.00           C  
HETATM   25  C   UNL     1       1.783   3.970  -0.496  1.00  0.00           C  
HETATM   26  C   UNL     1       5.298   3.709   0.457  1.00  0.00           C  
HETATM   27  C   UNL     1       5.891   4.884   0.049  1.00  0.00           C  
HETATM   28  C   UNL     1       5.147   5.865  -0.582  1.00  0.00           C  
HETATM   29  C   UNL     1       3.794   5.670  -0.809  1.00  0.00           C  
HETATM   30  C   UNL     1       1.344   3.827  -1.955  1.00  0.00           C  
HETATM   31  C   UNL     1       0.816   4.875   0.270  1.00  0.00           C  
HETATM   32  C   UNL     1       3.603   1.239   1.211  1.00  0.00           C  
HETATM   33  C   UNL     1       4.590   0.504   0.301  1.00  0.00           C  
HETATM   34  C   UNL     1       5.092  -0.757   1.007  1.00  0.00           C  
HETATM   35  C   UNL     1       6.079  -1.492   0.098  1.00  0.00           C  
HETATM   36  C   UNL     1       6.581  -2.753   0.804  1.00  0.00           C  
HETATM   37  C   UNL     1       7.568  -3.488  -0.105  1.00  0.00           C  
HETATM   38  C   UNL     1       8.069  -4.750   0.600  1.00  0.00           C  
HETATM   39  C   UNL     1       9.042  -5.473  -0.295  1.00  0.00           C  
HETATM   40  O   UNL     1       9.306  -5.026  -1.386  1.00  0.00           O  
HETATM   41  O   UNL     1       9.614  -6.615   0.119  1.00  0.00           O  
HETATM   42  H   UNL     1      -5.613  -1.211  -1.408  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.463   0.338  -1.125  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.530  -0.808  -0.419  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.971  -2.035  -1.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.764  -3.065   0.728  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.051   1.461   0.466  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.059   0.869   1.820  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.408   3.062   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.684  -4.213  -1.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.273  -4.095  -0.830  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.370  -2.261   1.470  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.719   0.506  -0.877  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.943   2.197  -1.020  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.231  -0.511   0.921  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.021  -2.188   1.063  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.600   2.924  -0.595  1.00  0.00           H  
HETATM   58  H   UNL     1       1.005   0.767   0.881  1.00  0.00           H  
HETATM   59  H   UNL     1       5.887   2.949   0.949  1.00  0.00           H  
HETATM   60  H   UNL     1       6.945   5.040   0.223  1.00  0.00           H  
HETATM   61  H   UNL     1       5.621   6.783  -0.898  1.00  0.00           H  
HETATM   62  H   UNL     1       3.212   6.435  -1.302  1.00  0.00           H  
HETATM   63  H   UNL     1       1.317   4.810  -2.425  1.00  0.00           H  
HETATM   64  H   UNL     1       2.051   3.189  -2.486  1.00  0.00           H  
HETATM   65  H   UNL     1       0.351   3.379  -1.994  1.00  0.00           H  
HETATM   66  H   UNL     1       1.175   5.008   1.291  1.00  0.00           H  
HETATM   67  H   UNL     1       0.758   5.845  -0.224  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.173   4.418   0.289  1.00  0.00           H  
HETATM   69  H   UNL     1       4.102   1.516   2.139  1.00  0.00           H  
HETATM   70  H   UNL     1       2.759   0.586   1.432  1.00  0.00           H  
HETATM   71  H   UNL     1       4.092   0.227  -0.627  1.00  0.00           H  
HETATM   72  H   UNL     1       5.435   1.156   0.080  1.00  0.00           H  
HETATM   73  H   UNL     1       5.591  -0.480   1.936  1.00  0.00           H  
HETATM   74  H   UNL     1       4.248  -1.410   1.229  1.00  0.00           H  
HETATM   75  H   UNL     1       5.581  -1.769  -0.831  1.00  0.00           H  
HETATM   76  H   UNL     1       6.924  -0.840  -0.124  1.00  0.00           H  
HETATM   77  H   UNL     1       7.079  -2.476   1.733  1.00  0.00           H  
HETATM   78  H   UNL     1       5.736  -3.406   1.026  1.00  0.00           H  
HETATM   79  H   UNL     1       7.069  -3.766  -1.034  1.00  0.00           H  
HETATM   80  H   UNL     1       8.412  -2.836  -0.327  1.00  0.00           H  
HETATM   81  H   UNL     1       8.568  -4.472   1.529  1.00  0.00           H  
HETATM   82  H   UNL     1       7.225  -5.402   0.822  1.00  0.00           H  
HETATM   83  H   UNL     1      10.231  -7.043  -0.490  1.00  0.00           H  
CONECT    1    2   13                                                 
CONECT    2    7    1    3   42                                       
CONECT    3    2    4                                                 
CONECT    4    5    3    8   43                                       
CONECT    5    6    4   12   44                                       
CONECT    6   10    7    5   45                                       
CONECT    7   11    6    2   46                                       
CONECT    8    4    9   47   48                                       
CONECT    9    8   49                                                 
CONECT   10    6   50                                                 
CONECT   11    7   51                                                 
CONECT   12    5   52                                                 
CONECT   13   14    1   18   18                                       
CONECT   14   15   15   13   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   19   17   17                                       
CONECT   17   16   16   18   55                                       
CONECT   18   13   13   17   56                                       
CONECT   19   16   20   20   57                                       
CONECT   20   19   19   21   58                                       
CONECT   21   25   20   22   22                                       
CONECT   22   21   21   23   32                                       
CONECT   23   24   22   26   26                                       
CONECT   24   25   29   29   23                                       
CONECT   25   30   31   21   24                                       
CONECT   26   23   23   27   59                                       
CONECT   27   28   28   26   60                                       
CONECT   28   29   27   27   61                                       
CONECT   29   24   24   28   62                                       
CONECT   30   25   63   64   65                                       
CONECT   31   25   66   67   68                                       
CONECT   32   22   33   69   70                                       
CONECT   33   32   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   36   34   75   76                                       
CONECT   36   37   35   77   78                                       
CONECT   37   38   36   79   80                                       
CONECT   38   39   37   81   82                                       
CONECT   39   40   40   38   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   83                                                 
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   41                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
