COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.685  -2.885  -0.194  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.737  -2.299  -1.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.262  -2.147   0.835  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.053  -4.180  -0.390  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.361  -0.982  -0.829  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.179  -3.021  -2.035  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.889  -0.829   1.036  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.192  -2.721   1.644  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.303  -5.179   0.302  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.934  -0.241   0.206  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.213  -2.356  -2.851  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.743  -1.905   2.680  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.534   1.166   0.418  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.627   1.724  -0.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.219   3.158  -0.155  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.701   3.237   0.015  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.287   4.693   0.235  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.829   4.769   0.397  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.136   4.313  -0.824  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.421   4.126   1.573  1.00  0.00           C  
HETATM   21  C   UNL     1       0.196   5.017  -0.898  1.00  0.00           C  
HETATM   22  C   UNL     1       0.077   4.369   1.862  1.00  0.00           C  
HETATM   23  N   UNL     1       1.282   4.205  -0.312  1.00  0.00           N  
HETATM   24  C   UNL     1       0.900   3.509   0.937  1.00  0.00           C  
HETATM   25  C   UNL     1       1.823   3.260  -1.298  1.00  0.00           C  
HETATM   26  C   UNL     1       3.097   2.618  -0.744  1.00  0.00           C  
HETATM   27  C   UNL     1       3.660   1.634  -1.770  1.00  0.00           C  
HETATM   28  C   UNL     1       4.914   1.001  -1.225  1.00  0.00           C  
HETATM   29  C   UNL     1       5.016  -0.319  -1.157  1.00  0.00           C  
HETATM   30  C   UNL     1       6.246  -0.939  -0.622  1.00  0.00           C  
HETATM   31  C   UNL     1       6.354  -2.328  -0.550  1.00  0.00           C  
HETATM   32  C   UNL     1       7.303  -0.136  -0.192  1.00  0.00           C  
HETATM   33  C   UNL     1       7.507  -2.906  -0.049  1.00  0.00           C  
HETATM   34  C   UNL     1       8.454  -0.719   0.309  1.00  0.00           C  
HETATM   35  C   UNL     1       8.557  -2.104   0.385  1.00  0.00           C  
HETATM   36  O   UNL     1       7.613  -4.260   0.021  1.00  0.00           O  
HETATM   37  O   UNL     1       9.485   0.064   0.727  1.00  0.00           O  
HETATM   38  O   UNL     1       9.689  -2.674   0.878  1.00  0.00           O  
HETATM   39  C   UNL     1       6.497  -5.023  -0.441  1.00  0.00           C  
HETATM   40  C   UNL     1       9.311   1.478   0.621  1.00  0.00           C  
HETATM   41  C   UNL     1       9.733  -2.919   2.285  1.00  0.00           C  
HETATM   42  H   UNL     1      -5.624  -0.527  -1.475  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.337  -0.257   1.835  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.699  -6.165   0.058  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.257  -5.123   0.000  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.380  -5.012   1.377  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.674  -1.492  -3.330  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.379  -2.026  -2.231  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.848  -3.043  -3.615  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.470  -2.483   3.250  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.944  -1.572   3.343  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.233  -1.038   2.238  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.981   1.739   1.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.180   1.150  -1.170  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.520   3.755  -1.016  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.705   3.542   0.742  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.400   2.640   0.875  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.215   2.852  -0.882  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.588   5.291  -0.626  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.773   5.078   1.131  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.980   3.235  -0.779  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.733   4.562  -1.701  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.011   4.503   2.408  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.594   3.054   1.471  1.00  0.00           H  
HETATM   65  H   UNL     1       0.430   5.224  -1.942  1.00  0.00           H  
HETATM   66  H   UNL     1       0.128   5.962  -0.358  1.00  0.00           H  
HETATM   67  H   UNL     1       0.316   5.419   1.691  1.00  0.00           H  
HETATM   68  H   UNL     1       0.296   4.108   2.897  1.00  0.00           H  
HETATM   69  H   UNL     1       1.806   3.200   1.458  1.00  0.00           H  
HETATM   70  H   UNL     1       0.325   2.619   0.681  1.00  0.00           H  
HETATM   71  H   UNL     1       1.084   2.485  -1.501  1.00  0.00           H  
HETATM   72  H   UNL     1       2.056   3.791  -2.221  1.00  0.00           H  
HETATM   73  H   UNL     1       3.835   3.394  -0.540  1.00  0.00           H  
HETATM   74  H   UNL     1       2.864   2.087   0.179  1.00  0.00           H  
HETATM   75  H   UNL     1       2.921   0.858  -1.974  1.00  0.00           H  
HETATM   76  H   UNL     1       3.893   2.165  -2.694  1.00  0.00           H  
HETATM   77  H   UNL     1       5.730   1.624  -0.888  1.00  0.00           H  
HETATM   78  H   UNL     1       4.200  -0.941  -1.494  1.00  0.00           H  
HETATM   79  H   UNL     1       5.539  -2.952  -0.886  1.00  0.00           H  
HETATM   80  H   UNL     1       7.224   0.940  -0.251  1.00  0.00           H  
HETATM   81  H   UNL     1       6.312  -4.798  -1.491  1.00  0.00           H  
HETATM   82  H   UNL     1       6.712  -6.086  -0.330  1.00  0.00           H  
HETATM   83  H   UNL     1       5.614  -4.768   0.146  1.00  0.00           H  
HETATM   84  H   UNL     1       9.145   1.746  -0.423  1.00  0.00           H  
HETATM   85  H   UNL     1       8.451   1.784   1.216  1.00  0.00           H  
HETATM   86  H   UNL     1      10.205   1.982   0.987  1.00  0.00           H  
HETATM   87  H   UNL     1       9.622  -1.977   2.822  1.00  0.00           H  
HETATM   88  H   UNL     1       8.921  -3.592   2.562  1.00  0.00           H  
HETATM   89  H   UNL     1      10.688  -3.376   2.546  1.00  0.00           H  
CONECT    1    3    4    2    2                                       
CONECT    2    1    1    5    6                                       
CONECT    3    8    7    7    1                                       
CONECT    4    1    9                                                 
CONECT    5   10   10    2   42                                       
CONECT    6    2   11                                                 
CONECT    7    3    3   10   43                                       
CONECT    8   12    3                                                 
CONECT    9    4   44   45   46                                       
CONECT   10    7   13    5    5                                       
CONECT   11    6   47   48   49                                       
CONECT   12    8   50   51   52                                       
CONECT   13   10   14   14   53                                       
CONECT   14   13   13   15   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   15   17   57   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   19   17   20                                            
CONECT   19   21   18   61   62                                       
CONECT   20   18   22   63   64                                       
CONECT   21   19   23   65   66                                       
CONECT   22   20   24   67   68                                       
CONECT   23   21   25   24                                            
CONECT   24   23   22   69   70                                       
CONECT   25   23   26   71   72                                       
CONECT   26   25   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28   27   29   29   77                                       
CONECT   29   30   28   28   78                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   33   33   79                                       
CONECT   32   30   30   34   80                                       
CONECT   33   31   31   35   36                                       
CONECT   34   32   37   35   35                                       
CONECT   35   34   34   33   38                                       
CONECT   36   33   39                                                 
CONECT   37   40   34                                                 
CONECT   38   35   41                                                 
CONECT   39   36   81   82   83                                       
CONECT   40   37   84   85   86                                       
CONECT   41   38   87   88   89                                       
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
