COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.861  -3.617   1.531  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.747  -4.510   1.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.535  -5.529   1.818  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.789  -4.313  -0.291  1.00  0.00           O  
HETATM    5  N   UNL     1      -5.046  -3.425  -0.637  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.410  -2.907   0.384  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.421  -1.802   0.351  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.905  -1.418   1.382  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.762  -1.614   0.388  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.799  -0.623  -0.310  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.117  -0.134  -0.854  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.622   1.029   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.875   1.598  -0.612  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.501   2.638  -0.025  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.679   3.172  -0.602  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.235   4.270   0.125  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.593   3.815   1.541  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.212   5.405   0.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.497   4.764  -0.586  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.320   1.121  -1.633  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.094  -1.225  -0.822  1.00  0.00           N  
HETATM   22  O   UNL     1       2.491  -0.936  -2.269  1.00  0.00           O  
HETATM   23  N   UNL     1       0.337   0.040  -0.600  1.00  0.00           N  
HETATM   24  C   UNL     1       1.618  -0.436  -0.071  1.00  0.00           C  
HETATM   25  C   UNL     1       2.587   0.716   0.010  1.00  0.00           C  
HETATM   26  O   UNL     1       2.242   1.825  -0.339  1.00  0.00           O  
HETATM   27  C   UNL     1       2.184  -1.513  -0.998  1.00  0.00           C  
HETATM   28  C   UNL     1       3.028  -1.863  -3.214  1.00  0.00           C  
HETATM   29  C   UNL     1       8.530   0.248   2.140  1.00  0.00           C  
HETATM   30  C   UNL     1       7.626   0.896   2.924  1.00  0.00           C  
HETATM   31  C   UNL     1       8.241   0.031   0.781  1.00  0.00           C  
HETATM   32  C   UNL     1       6.719   0.266  -1.106  1.00  0.00           C  
HETATM   33  C   UNL     1       7.008   0.484   0.252  1.00  0.00           C  
HETATM   34  C   UNL     1       7.626  -0.376  -1.893  1.00  0.00           C  
HETATM   35  N   UNL     1       3.837   0.513   0.471  1.00  0.00           N  
HETATM   36  C   UNL     1       4.779   1.633   0.550  1.00  0.00           C  
HETATM   37  C   UNL     1       6.096   1.143   1.094  1.00  0.00           C  
HETATM   38  C   UNL     1       6.415   1.347   2.402  1.00  0.00           C  
HETATM   39  C   UNL     1       8.839  -0.821  -1.372  1.00  0.00           C  
HETATM   40  C   UNL     1       9.152  -0.628  -0.061  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.567  -3.474   2.561  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.483  -5.091   2.132  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.727  -6.400   1.192  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.965  -5.831   2.696  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.983   0.204  -1.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.841   0.671   1.009  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.857   1.804   0.051  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.145   3.019   0.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.694   3.462   2.047  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.017   4.652   2.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.322   3.006   1.490  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.957   5.729  -0.812  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.636   6.242   0.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.313   5.053   0.703  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.226   3.955  -0.637  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.921   5.601  -0.032  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.242   5.088  -1.595  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.506  -1.531  -1.645  1.00  0.00           H  
HETATM   59  H   UNL     1       1.467  -0.855   0.924  1.00  0.00           H  
HETATM   60  H   UNL     1       1.446  -2.305  -1.128  1.00  0.00           H  
HETATM   61  H   UNL     1       3.091  -1.930  -0.560  1.00  0.00           H  
HETATM   62  H   UNL     1       3.953  -2.287  -2.822  1.00  0.00           H  
HETATM   63  H   UNL     1       2.308  -2.662  -3.389  1.00  0.00           H  
HETATM   64  H   UNL     1       3.234  -1.347  -4.152  1.00  0.00           H  
HETATM   65  H   UNL     1       0.308   0.832  -1.159  1.00  0.00           H  
HETATM   66  H   UNL     1       9.466  -0.092   2.557  1.00  0.00           H  
HETATM   67  H   UNL     1       7.850   1.062   3.968  1.00  0.00           H  
HETATM   68  H   UNL     1       5.783   0.605  -1.524  1.00  0.00           H  
HETATM   69  H   UNL     1       7.402  -0.544  -2.936  1.00  0.00           H  
HETATM   70  H   UNL     1       4.113  -0.374   0.751  1.00  0.00           H  
HETATM   71  H   UNL     1       4.930   2.052  -0.444  1.00  0.00           H  
HETATM   72  H   UNL     1       4.376   2.401   1.211  1.00  0.00           H  
HETATM   73  H   UNL     1       5.714   1.857   3.046  1.00  0.00           H  
HETATM   74  H   UNL     1       9.541  -1.328  -2.017  1.00  0.00           H  
HETATM   75  H   UNL     1      10.097  -0.979   0.329  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2   42   43   44                                       
CONECT    4    2    5                                                 
CONECT    5    6    6    4                                            
CONECT    6    1    7    5    5                                       
CONECT    7   21    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10   10                                                 
CONECT   10    9    9   23   11                                       
CONECT   11   10   21   12   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   20   20                                       
CONECT   14   13   15   48                                            
CONECT   15   14   16                                                 
CONECT   16   19   17   15   18                                       
CONECT   17   16   49   50   51                                       
CONECT   18   16   52   53   54                                       
CONECT   19   16   55   56   57                                       
CONECT   20   13   13                                                 
CONECT   21   11    7   58                                            
CONECT   22   28   27                                                 
CONECT   23   24   10   65                                            
CONECT   24   25   27   23   59                                       
CONECT   25   35   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   22   24   60   61                                       
CONECT   28   22   62   63   64                                       
CONECT   29   30   30   31   66                                       
CONECT   30   29   29   38   67                                       
CONECT   31   29   40   40   33                                       
CONECT   32   33   33   34   68                                       
CONECT   33   31   37   32   32                                       
CONECT   34   39   39   32   69                                       
CONECT   35   36   25   70                                            
CONECT   36   37   35   71   72                                       
CONECT   37   38   38   33   36                                       
CONECT   38   30   37   37   73                                       
CONECT   39   40   34   34   74                                       
CONECT   40   31   31   39   75                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   23                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
