COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.559  -0.357  -2.112  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.885  -1.186  -1.213  1.00  0.00           C  
HETATM    3  C   UNL     1       0.132  -3.411   0.446  1.00  0.00           C  
HETATM    4  C   UNL     1       1.987  -1.688   1.854  1.00  0.00           C  
HETATM    5  C   UNL     1       1.652  -3.565   0.357  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.187   3.627  -0.330  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.337   3.275   0.893  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.432   4.403   1.923  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.878   3.093   0.467  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.781   1.925  -0.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.074  -0.467  -0.743  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.597  -0.718  -0.907  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.911  -0.129  -1.954  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.937  -1.549  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.585  -1.782  -0.163  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.436  -1.432  -1.374  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.352  -2.475  -0.663  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.237  -2.821   1.810  1.00  0.00           C  
HETATM   19  C   UNL     1       0.477  -1.479   1.987  1.00  0.00           C  
HETATM   20  C   UNL     1       3.659  -2.335   0.328  1.00  0.00           C  
HETATM   21  C   UNL     1       5.528  -3.583  -0.179  1.00  0.00           C  
HETATM   22  C   UNL     1       5.824  -1.332   0.214  1.00  0.00           C  
HETATM   23  C   UNL     1       6.108   1.084   0.640  1.00  0.00           C  
HETATM   24  C   UNL     1       7.219   2.102   0.678  1.00  0.00           C  
HETATM   25  C   UNL     1       7.708   2.645  -0.502  1.00  0.00           C  
HETATM   26  C   UNL     1       8.231   3.289  -2.548  1.00  0.00           C  
HETATM   27  C   UNL     1       8.744   3.593  -0.458  1.00  0.00           C  
HETATM   28  C   UNL     1       9.271   3.979   0.777  1.00  0.00           C  
HETATM   29  C   UNL     1       8.777   3.434   1.929  1.00  0.00           C  
HETATM   30  C   UNL     1       7.751   2.501   1.886  1.00  0.00           C  
HETATM   31  C   UNL     1       4.456  -1.199   0.433  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.693   0.836   0.498  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.847   1.971   1.513  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.280   0.701   0.123  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.788  -2.232  -0.504  1.00  0.00           N  
HETATM   36  N   UNL     1       2.290  -2.254   0.532  1.00  0.00           N  
HETATM   37  N   UNL     1       4.228  -3.499   0.022  1.00  0.00           N  
HETATM   38  N   UNL     1       6.317  -2.532  -0.088  1.00  0.00           N  
HETATM   39  N   UNL     1       6.661  -0.231   0.307  1.00  0.00           N  
HETATM   40  N   UNL     1       7.405   2.474  -1.837  1.00  0.00           N  
HETATM   41  N   UNL     1       9.014   3.944  -1.742  1.00  0.00           N  
HETATM   42  O   UNL     1      -0.486  -4.690   0.296  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.829  -0.912  -2.290  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.023   0.107  -2.927  1.00  0.00           H  
HETATM   45  H   UNL     1       2.497  -0.731   1.966  1.00  0.00           H  
HETATM   46  H   UNL     1       2.328  -2.374   2.629  1.00  0.00           H  
HETATM   47  H   UNL     1       1.995  -4.242   1.139  1.00  0.00           H  
HETATM   48  H   UNL     1       1.920  -3.972  -0.618  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.121   2.822  -1.062  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.226   3.756  -0.025  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.820   4.552  -0.773  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.471   4.531   2.227  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.827   4.152   2.794  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.067   5.330   1.481  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.523   4.004  -0.013  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.267   2.882   1.345  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.382   2.144  -1.400  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.741   1.783  -0.811  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.521  -0.279  -1.720  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.543  -1.342  -0.292  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.433   0.512  -2.648  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.482  -2.016   0.788  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.071  -2.431   0.531  1.00  0.00           H  
HETATM   64  H   UNL     1       0.186  -1.529  -0.601  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.167  -2.936  -1.634  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.316  -2.670   1.861  1.00  0.00           H  
HETATM   67  H   UNL     1       0.072  -3.507   2.599  1.00  0.00           H  
HETATM   68  H   UNL     1       0.251  -1.074   2.974  1.00  0.00           H  
HETATM   69  H   UNL     1       0.137  -0.782   1.221  1.00  0.00           H  
HETATM   70  H   UNL     1       5.959  -4.542  -0.425  1.00  0.00           H  
HETATM   71  H   UNL     1       5.623   1.038   1.615  1.00  0.00           H  
HETATM   72  H   UNL     1       5.377   1.373  -0.116  1.00  0.00           H  
HETATM   73  H   UNL     1       8.236   3.378  -3.624  1.00  0.00           H  
HETATM   74  H   UNL     1      10.068   4.707   0.822  1.00  0.00           H  
HETATM   75  H   UNL     1       9.185   3.737   2.882  1.00  0.00           H  
HETATM   76  H   UNL     1       7.371   2.079   2.805  1.00  0.00           H  
HETATM   77  H   UNL     1       4.025  -0.240   0.679  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.042  -0.097   0.941  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.285   1.059  -0.390  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.267   1.741   2.406  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.898   2.081   1.779  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.272  -2.647   0.227  1.00  0.00           H  
HETATM   83  H   UNL     1       7.614  -0.331   0.153  1.00  0.00           H  
HETATM   84  H   UNL     1       6.728   1.881  -2.202  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.452  -4.668   0.343  1.00  0.00           H  
CONECT    1   13   13    2   44                                       
CONECT    2   15   15    1   16                                       
CONECT    3   18    5   17   42                                       
CONECT    4   19   36   45   46                                       
CONECT    5   36    3   47   48                                       
CONECT    6    7   49   50   51                                       
CONECT    7   33    6    9    8                                       
CONECT    8    7   52   53   54                                       
CONECT    9    7   10   55   56                                       
CONECT   10   34    9   57   58                                       
CONECT   11   34   12   59   60                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12    1    1   61                                       
CONECT   14   12   12   15   62                                       
CONECT   15   14    2    2   63                                       
CONECT   16    2   43   43   35                                       
CONECT   17   35    3   64   65                                       
CONECT   18   19    3   66   67                                       
CONECT   19    4   18   68   69                                       
CONECT   20   31   36   37   37                                       
CONECT   21   38   38   37   70                                       
CONECT   22   39   31   31   38                                       
CONECT   23   24   39   71   72                                       
CONECT   24   30   23   25   25                                       
CONECT   25   24   24   27   40                                       
CONECT   26   41   41   40   73                                       
CONECT   27   28   28   25   41                                       
CONECT   28   29   27   27   74                                       
CONECT   29   30   30   28   75                                       
CONECT   30   29   29   24   76                                       
CONECT   31   22   22   20   77                                       
CONECT   32   33   34   78   79                                       
CONECT   33   32    7   80   81                                       
CONECT   34   32   11   10                                            
CONECT   35   16   17   82                                            
CONECT   36    4   20    5                                            
CONECT   37   20   20   21                                            
CONECT   38   22   21   21                                            
CONECT   39   23   22   83                                            
CONECT   40   25   26   84                                            
CONECT   41   27   26   26                                            
CONECT   42    3   85                                                 
CONECT   43   16   16                                                 
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
