COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.369  -0.088  -0.866  1.00  0.00           C  
HETATM    2  C   UNL     1       8.149   0.197  -1.397  1.00  0.00           C  
HETATM    3  C   UNL     1       7.209   0.936  -0.681  1.00  0.00           C  
HETATM    4  C   UNL     1       5.868   1.233  -1.302  1.00  0.00           C  
HETATM    5  O   UNL     1       4.935   0.172  -0.970  1.00  0.00           O  
HETATM    6  C   UNL     1       3.683   0.286  -1.452  1.00  0.00           C  
HETATM    7  O   UNL     1       3.379   1.246  -2.132  1.00  0.00           O  
HETATM    8  N   UNL     1       2.767  -0.665  -1.180  1.00  0.00           N  
HETATM    9  C   UNL     1       1.405  -0.541  -1.704  1.00  0.00           C  
HETATM   10  C   UNL     1       1.352  -1.104  -3.126  1.00  0.00           C  
HETATM   11  C   UNL     1       0.455  -1.312  -0.823  1.00  0.00           C  
HETATM   12  O   UNL     1       0.875  -1.906   0.147  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.860  -1.340  -1.114  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.783  -2.089  -0.257  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.805  -3.534  -0.685  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.120  -3.901  -1.610  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.585  -4.414  -0.038  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.556  -5.789  -0.505  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.487  -6.624   0.335  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.810  -6.770  -0.038  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.665  -7.536   0.732  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.196  -8.158   1.875  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.873  -8.013   2.247  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.017  -7.250   1.475  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.189  -1.499  -0.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.195  -0.072   0.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.601   0.518   0.041  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.606   1.885   0.568  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.744   2.606   0.559  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.764   2.124   0.116  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.749   4.012   1.102  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.084   4.522   1.092  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.858   4.899   0.229  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.764   6.294   0.850  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.161   6.189   2.252  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.872   7.181  -0.023  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.878   8.608   0.528  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.451   5.002  -1.152  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.820   4.624  -2.110  1.00  0.00           O  
HETATM   40  C   UNL     1       7.483   1.393   0.571  1.00  0.00           C  
HETATM   41  C   UNL     1       8.732   1.117   1.154  1.00  0.00           C  
HETATM   42  C   UNL     1       9.051   1.572   2.444  1.00  0.00           C  
HETATM   43  C   UNL     1      10.271   1.287   2.976  1.00  0.00           C  
HETATM   44  C   UNL     1      11.212   0.549   2.260  1.00  0.00           C  
HETATM   45  C   UNL     1      10.937   0.093   1.007  1.00  0.00           C  
HETATM   46  C   UNL     1       9.688   0.367   0.425  1.00  0.00           C  
HETATM   47  H   UNL     1      10.086  -0.665  -1.431  1.00  0.00           H  
HETATM   48  H   UNL     1       7.906  -0.154  -2.389  1.00  0.00           H  
HETATM   49  H   UNL     1       5.492   2.181  -0.919  1.00  0.00           H  
HETATM   50  H   UNL     1       5.976   1.296  -2.385  1.00  0.00           H  
HETATM   51  H   UNL     1       3.010  -1.431  -0.637  1.00  0.00           H  
HETATM   52  H   UNL     1       1.115   0.510  -1.719  1.00  0.00           H  
HETATM   53  H   UNL     1       1.642  -2.155  -3.112  1.00  0.00           H  
HETATM   54  H   UNL     1       0.338  -1.012  -3.516  1.00  0.00           H  
HETATM   55  H   UNL     1       2.039  -0.547  -3.763  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.196  -0.865  -1.890  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.453  -2.022   0.779  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.873  -5.826  -1.547  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.541  -6.180  -0.420  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.177  -6.285  -0.930  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.699  -7.650   0.442  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.864  -8.756   2.477  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.507  -8.498   3.140  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.982  -7.140   1.763  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.484  -1.485  -1.433  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.892  -2.110   0.183  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.899  -0.086   1.216  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.492   0.539  -0.400  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.896   0.533  -1.009  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.303  -0.092   0.607  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.789   2.271   0.923  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.370   4.009   2.124  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.486   4.554   0.213  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.862   4.462   0.165  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.760   6.732   0.914  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.094   7.183   2.694  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.796   5.558   2.874  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.165   5.752   2.188  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.854   6.792  -0.015  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.252   7.184  -1.044  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.896   8.997   0.520  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.498   8.605   1.550  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.243   9.240  -0.094  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.440   5.415  -1.286  1.00  0.00           H  
HETATM   85  H   UNL     1       6.744   1.964   1.115  1.00  0.00           H  
HETATM   86  H   UNL     1       8.333   2.146   3.011  1.00  0.00           H  
HETATM   87  H   UNL     1      10.514   1.638   3.968  1.00  0.00           H  
HETATM   88  H   UNL     1      12.172   0.337   2.705  1.00  0.00           H  
HETATM   89  H   UNL     1      11.676  -0.477   0.464  1.00  0.00           H  
CONECT    1    2    2   46   47                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    4   40   40                                       
CONECT    4    3    5   49   50                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   51                                            
CONECT    9    8   10   11   52                                       
CONECT   10    9   53   54   55                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   56                                            
CONECT   14   13   15   25   57                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   58   59                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   60                                       
CONECT   21   20   22   22   61                                       
CONECT   22   21   21   23   62                                       
CONECT   23   22   24   24   63                                       
CONECT   24   19   23   23   64                                       
CONECT   25   14   26   65   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   71                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   33   72                                       
CONECT   32   31   73                                                 
CONECT   33   31   34   38   74                                       
CONECT   34   33   35   36   75                                       
CONECT   35   34   76   77   78                                       
CONECT   36   34   37   79   80                                       
CONECT   37   36   81   82   83                                       
CONECT   38   33   39   39   84                                       
CONECT   39   38   38                                                 
CONECT   40    3    3   41   85                                       
CONECT   41   40   42   42   46                                       
CONECT   42   41   41   43   86                                       
CONECT   43   42   44   44   87                                       
CONECT   44   43   43   45   88                                       
CONECT   45   44   46   46   89                                       
CONECT   46    1   41   45   45                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
