COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.986   4.380  -1.595  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.220   3.345  -1.048  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.863   2.195  -0.555  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.674   2.006  -0.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.045   0.045   0.522  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.008  -2.165   0.120  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.536  -0.215   0.743  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.569   0.510   2.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.736  -1.646   1.246  1.00  0.00           C  
HETATM   10  C   UNL     1       0.597  -4.009   0.063  1.00  0.00           C  
HETATM   11  C   UNL     1       1.268  -5.035  -0.852  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.762  -5.065  -2.308  1.00  0.00           C  
HETATM   13  C   UNL     1       3.152   0.458   0.724  1.00  0.00           C  
HETATM   14  C   UNL     1       2.042   0.160   1.520  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.346   4.267  -1.645  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.980   3.132  -1.159  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.247   2.099  -0.616  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.890   3.169  -0.863  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.865   1.365  -0.087  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.482  -1.012  -0.393  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.454  -0.825  -1.591  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.366  -3.147  -0.756  1.00  0.00           C  
HETATM   23  C   UNL     1       0.200  -5.927  -1.488  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.434  -4.039  -1.392  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.077   0.770   1.781  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.768  -0.921   2.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.227  -1.906   1.467  1.00  0.00           C  
HETATM   28  C   UNL     1       0.657   1.468   0.057  1.00  0.00           C  
HETATM   29  C   UNL     1       0.804   0.662   1.189  1.00  0.00           C  
HETATM   30  C   UNL     1       4.480  -0.085   1.076  1.00  0.00           C  
HETATM   31  O   UNL     1       4.566  -1.079   1.770  1.00  0.00           O  
HETATM   32  C   UNL     1       5.704   0.579   0.583  1.00  0.00           C  
HETATM   33  C   UNL     1       5.671   1.926   0.214  1.00  0.00           C  
HETATM   34  C   UNL     1       6.819   2.542  -0.239  1.00  0.00           C  
HETATM   35  C   UNL     1       8.001   1.829  -0.329  1.00  0.00           C  
HETATM   36  C   UNL     1       8.041   0.494   0.034  1.00  0.00           C  
HETATM   37  C   UNL     1       6.901  -0.134   0.490  1.00  0.00           C  
HETATM   38  C   UNL     1       3.004   1.264  -0.408  1.00  0.00           C  
HETATM   39  C   UNL     1       1.766   1.765  -0.738  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.502   5.269  -1.972  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.525   0.012   1.479  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.094  -2.344   1.069  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.072  -0.082  -0.197  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.954   1.212   2.743  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.104   0.643   1.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.351  -2.348   0.506  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.200  -1.779   2.186  1.00  0.00           H  
HETATM   48  H   UNL     1       0.043  -4.528   0.846  1.00  0.00           H  
HETATM   49  H   UNL     1       1.358  -3.374   0.516  1.00  0.00           H  
HETATM   50  H   UNL     1       1.822  -4.516  -1.635  1.00  0.00           H  
HETATM   51  H   UNL     1       1.954  -5.649  -0.268  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.209  -4.547  -3.090  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.523  -5.701  -2.761  1.00  0.00           H  
HETATM   54  H   UNL     1       2.156  -0.463   2.394  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.933   5.068  -2.068  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.057   3.059  -1.206  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.746   1.218  -0.239  1.00  0.00           H  
HETATM   58  H   UNL     1       0.188  -2.629  -1.539  1.00  0.00           H  
HETATM   59  H   UNL     1       0.679  -6.658  -2.140  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.353  -6.446  -0.705  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.119  -3.425  -1.976  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.987  -4.558  -0.610  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.542   0.637   2.722  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.935   1.790   1.423  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.232  -1.054   3.446  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.830  -1.106   2.663  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.763  -1.773   0.527  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.369  -2.926   1.825  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.054   0.433   1.804  1.00  0.00           H  
HETATM   70  H   UNL     1       4.749   2.484   0.284  1.00  0.00           H  
HETATM   71  H   UNL     1       6.795   3.583  -0.524  1.00  0.00           H  
HETATM   72  H   UNL     1       8.897   2.315  -0.686  1.00  0.00           H  
HETATM   73  H   UNL     1       8.967  -0.057  -0.039  1.00  0.00           H  
HETATM   74  H   UNL     1       6.935  -1.175   0.777  1.00  0.00           H  
HETATM   75  H   UNL     1       3.862   1.495  -1.023  1.00  0.00           H  
HETATM   76  H   UNL     1       1.651   2.388  -1.613  1.00  0.00           H  
CONECT    1    2    2   15   40                                       
CONECT    2    1    1   18    3                                       
CONECT    3    2   19   17   17                                       
CONECT    4   18   18   28   19                                       
CONECT    5   19   20    7   41                                       
CONECT    6   22   20   42                                            
CONECT    7    5   25    9   43                                       
CONECT    8   25   26   44   45                                       
CONECT    9    7   27   46   47                                       
CONECT   10   11   22   48   49                                       
CONECT   11   23   10   50   51                                       
CONECT   12   23   24   52   53                                       
CONECT   13   14   30   38   38                                       
CONECT   14   29   29   13   54                                       
CONECT   15    1   16   16   55                                       
CONECT   16   15   15   17   56                                       
CONECT   17    3    3   16   57                                       
CONECT   18    2    4    4                                            
CONECT   19    4    3    5                                            
CONECT   20    6    5   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   10   24    6   58                                       
CONECT   23   11   12   59   60                                       
CONECT   24   12   22   61   62                                       
CONECT   25    7    8   63   64                                       
CONECT   26    8   27   65   66                                       
CONECT   27    9   26   67   68                                       
CONECT   28   29    4   39   39                                       
CONECT   29   14   14   28   69                                       
CONECT   30   32   13   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   33   37   30                                       
CONECT   33   34   32   32   70                                       
CONECT   34   35   35   33   71                                       
CONECT   35   34   34   36   72                                       
CONECT   36   35   37   37   73                                       
CONECT   37   36   36   32   74                                       
CONECT   38   13   13   39   75                                       
CONECT   39   28   28   38   76                                       
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
