COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -1.660   2.493  -0.128  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.002   2.425  -0.464  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.872   1.606   0.258  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.371   0.781   1.415  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.806  -0.517   0.899  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.629  -1.623   0.769  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.122  -2.823   0.296  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.937  -3.904   0.172  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.306  -3.731   0.546  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.779  -2.921  -0.051  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.279  -4.095  -0.516  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.322  -4.305  -1.929  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.945  -1.801   0.080  1.00  0.00           C  
HETATM   14  C   UNL     1       0.476  -1.892  -0.284  1.00  0.00           C  
HETATM   15  C   UNL     1       1.301  -0.850  -0.047  1.00  0.00           C  
HETATM   16  C   UNL     1       2.734  -0.979  -0.305  1.00  0.00           C  
HETATM   17  N   UNL     1       3.572   0.023   0.029  1.00  0.00           N  
HETATM   18  N   UNL     1       3.091   1.148   0.715  1.00  0.00           N  
HETATM   19  C   UNL     1       3.861   1.774   1.555  1.00  0.00           C  
HETATM   20  C   UNL     1       4.997  -0.058  -0.317  1.00  0.00           C  
HETATM   21  C   UNL     1       5.285   0.839  -1.493  1.00  0.00           C  
HETATM   22  C   UNL     1       5.866   0.351  -2.562  1.00  0.00           C  
HETATM   23  C   UNL     1       6.142   1.245  -3.743  1.00  0.00           C  
HETATM   24  C   UNL     1       5.804   0.395   0.874  1.00  0.00           C  
HETATM   25  C   UNL     1       5.237   1.293   1.777  1.00  0.00           C  
HETATM   26  C   UNL     1       5.975   1.722   2.881  1.00  0.00           C  
HETATM   27  C   UNL     1       7.260   1.254   3.066  1.00  0.00           C  
HETATM   28  C   UNL     1       7.816   0.365   2.163  1.00  0.00           C  
HETATM   29  C   UNL     1       7.086  -0.065   1.077  1.00  0.00           C  
HETATM   30  O   UNL     1       3.171  -1.991  -0.821  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.475  -0.596   0.555  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.202   1.570  -0.112  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.611   2.307  -1.134  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.763   3.076  -1.802  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.229   3.831  -2.863  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.481   3.143  -1.475  1.00  0.00           N  
HETATM   37  C   UNL     1       6.259  -1.103  -2.609  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.178   0.700   0.638  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.850   1.521   1.740  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.749   0.609   2.578  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.062   3.068  -0.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.318   1.970   0.613  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.593   1.331   1.944  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.196   0.573   2.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.673  -1.551   1.038  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.844  -4.668   0.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.361  -3.442   1.596  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.755  -2.953  -0.069  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.892  -5.278  -2.165  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.357  -4.273  -2.269  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.750  -3.524  -2.430  1.00  0.00           H  
HETATM   52  H   UNL     1       0.860  -2.792  -0.742  1.00  0.00           H  
HETATM   53  H   UNL     1       0.903   0.079   0.333  1.00  0.00           H  
HETATM   54  H   UNL     1       5.257  -1.087  -0.565  1.00  0.00           H  
HETATM   55  H   UNL     1       5.791   2.254  -3.526  1.00  0.00           H  
HETATM   56  H   UNL     1       7.214   1.268  -3.939  1.00  0.00           H  
HETATM   57  H   UNL     1       5.621   0.860  -4.620  1.00  0.00           H  
HETATM   58  H   UNL     1       5.542   2.416   3.586  1.00  0.00           H  
HETATM   59  H   UNL     1       7.835   1.584   3.919  1.00  0.00           H  
HETATM   60  H   UNL     1       8.822   0.004   2.316  1.00  0.00           H  
HETATM   61  H   UNL     1       7.526  -0.762   0.379  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.839   0.272   0.655  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.167   3.794  -3.110  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.619   4.398  -3.360  1.00  0.00           H  
HETATM   65  H   UNL     1       5.401  -1.701  -2.916  1.00  0.00           H  
HETATM   66  H   UNL     1       7.070  -1.237  -3.324  1.00  0.00           H  
HETATM   67  H   UNL     1       6.589  -1.422  -1.620  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.936   0.327  -0.051  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.647  -0.141   1.083  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.087   1.965   2.379  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.452   2.310   1.290  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.165  -0.229   2.957  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.160   1.174   3.415  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.564   0.234   1.959  1.00  0.00           H  
HETATM   75  H   UNL     1       5.011   1.883  -1.456  1.00  0.00           H  
HETATM   76  H   UNL     1       3.496   2.640   2.086  1.00  0.00           H  
CONECT    1   41   42    2                                            
CONECT    2    1   36    3    3                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3   43   44    5                                       
CONECT    5    4   31    6    6                                       
CONECT    6    5    5   45    7                                       
CONECT    7    6   10   10    8                                       
CONECT    8    7    9                                                 
CONECT    9    8   46   47   48                                       
CONECT   10    7    7   13   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   49   50   51                                       
CONECT   13   10   14   31   31                                       
CONECT   14   13   15   15   52                                       
CONECT   15   14   14   16   53                                       
CONECT   16   15   17   30   30                                       
CONECT   17   16   20   18                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   25   76                                       
CONECT   20   17   24   54   21                                       
CONECT   21   20   75   22   22                                       
CONECT   22   21   21   37   23                                       
CONECT   23   22   55   56   57                                       
CONECT   24   20   29   29   25                                       
CONECT   25   19   24   26   26                                       
CONECT   26   25   25   27   58                                       
CONECT   27   26   59   28   28                                       
CONECT   28   27   27   60   29                                       
CONECT   29   24   24   28   61                                       
CONECT   30   16   16                                                 
CONECT   31    5   13   13   62                                       
CONECT   32    3   33   33   38                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   36   36                                       
CONECT   35   34   63   64                                            
CONECT   36    2   34   34                                            
CONECT   37   22   65   66   67                                       
CONECT   38   32   39   68   69                                       
CONECT   39   38   70   71   40                                       
CONECT   40   39   72   73   74                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   21                                                      
CONECT   76   19                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
