COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.242  -1.567  -0.285  1.00  0.00           C  
HETATM    2  C   UNL     1       3.176  -1.081   0.475  1.00  0.00           C  
HETATM    3  C   UNL     1       3.143   0.272   0.789  1.00  0.00           C  
HETATM    4  C   UNL     1       4.150   1.120   0.359  1.00  0.00           C  
HETATM    5  C   UNL     1       5.207   0.634  -0.381  1.00  0.00           C  
HETATM    6  C   UNL     1       5.246  -0.712  -0.706  1.00  0.00           C  
HETATM    7  C   UNL     1       4.059   2.576   0.714  1.00  0.00           C  
HETATM    8  N   UNL     1       5.394   3.222   0.747  1.00  0.00           N  
HETATM    9  C   UNL     1       6.057   2.998  -0.558  1.00  0.00           C  
HETATM   10  C   UNL     1       6.324   1.532  -0.830  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.821   2.349  -0.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.197   2.355  -0.407  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.900   1.162  -0.369  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.240  -0.034  -0.116  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.886  -0.044   0.094  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.159   1.170   0.054  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.055  -1.299  -0.061  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.146  -2.524  -0.027  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.097  -1.308   0.379  1.00  0.00           C  
HETATM   20  O   UNL     1       2.213  -1.903   0.905  1.00  0.00           O  
HETATM   21  C   UNL     1       1.165  -2.469   0.293  1.00  0.00           C  
HETATM   22  C   UNL     1       3.178   3.322  -0.299  1.00  0.00           C  
HETATM   23  C   UNL     1       1.785   2.758  -0.190  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.012  -1.785   0.030  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.059  -2.408  -0.614  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.929  -3.726  -1.028  1.00  0.00           C  
HETATM   27  C   UNL     1       0.219  -4.433  -0.740  1.00  0.00           C  
HETATM   28  C   UNL     1       1.263  -3.820  -0.073  1.00  0.00           C  
HETATM   29  C   UNL     1       1.197   2.684   1.062  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.048   2.122   1.205  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.164   1.774  -1.172  1.00  0.00           C  
HETATM   32  C   UNL     1       1.097   2.331  -1.308  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.871   1.010   0.278  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.356  -1.701  -0.896  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.847   3.525  -0.650  1.00  0.00           O  
HETATM   36  O   UNL     1       4.307  -2.884  -0.616  1.00  0.00           O  
HETATM   37  O   UNL     1       2.374  -4.536   0.244  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.725   1.633   0.091  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.309  -3.605   1.033  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.495  -1.919   2.197  1.00  0.00           C  
HETATM   41  C   UNL     1       6.199   2.544   1.802  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.130   3.521  -0.232  1.00  0.00           O  
HETATM   43  C   UNL     1      -7.259   3.452  -0.858  1.00  0.00           C  
HETATM   44  C   UNL     1       5.429  -3.302  -1.397  1.00  0.00           C  
HETATM   45  H   UNL     1       2.328   0.661   1.381  1.00  0.00           H  
HETATM   46  H   UNL     1       6.068  -1.099  -1.289  1.00  0.00           H  
HETATM   47  H   UNL     1       3.614   2.662   1.705  1.00  0.00           H  
HETATM   48  H   UNL     1       5.428   3.412  -1.346  1.00  0.00           H  
HETATM   49  H   UNL     1       7.007   3.542  -0.550  1.00  0.00           H  
HETATM   50  H   UNL     1       7.249   1.226  -0.341  1.00  0.00           H  
HETATM   51  H   UNL     1       6.459   1.395  -1.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.968   1.155  -0.531  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.712  -1.278   0.811  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.779  -2.739  -1.035  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.359  -1.078   1.159  1.00  0.00           H  
HETATM   56  H   UNL     1       3.163   4.385  -0.069  1.00  0.00           H  
HETATM   57  H   UNL     1       3.556   3.162  -1.309  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.108  -0.754   0.337  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.738  -4.200  -1.564  1.00  0.00           H  
HETATM   60  H   UNL     1       0.307  -5.466  -1.044  1.00  0.00           H  
HETATM   61  H   UNL     1       1.716   3.072   1.926  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.502   2.060   2.183  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.703   1.435  -2.044  1.00  0.00           H  
HETATM   64  H   UNL     1       1.538   2.434  -2.289  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.989  -2.342  -1.513  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.140  -0.793  -1.472  1.00  0.00           H  
HETATM   67  H   UNL     1       2.325  -4.977   1.103  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.497  -3.484   1.751  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.901  -3.924   0.075  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.008  -4.356   1.400  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.012  -0.962   2.118  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.649  -1.820   2.878  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.182  -2.674   2.578  1.00  0.00           H  
HETATM   74  H   UNL     1       6.296   1.485   1.561  1.00  0.00           H  
HETATM   75  H   UNL     1       7.189   2.997   1.851  1.00  0.00           H  
HETATM   76  H   UNL     1       5.701   2.654   2.765  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.064   3.966   0.624  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.467   2.818  -1.719  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.735   3.030   0.027  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.651   4.452  -1.040  1.00  0.00           H  
HETATM   81  H   UNL     1       5.435  -2.761  -2.343  1.00  0.00           H  
HETATM   82  H   UNL     1       6.350  -3.090  -0.852  1.00  0.00           H  
HETATM   83  H   UNL     1       5.359  -4.372  -1.590  1.00  0.00           H  
HETATM   84  N   UNL     1      -4.008  -2.325   0.866  1.00  0.00           N1+
HETATM   85  H   UNL     1      -6.691  -1.348  -0.956  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.720  -3.394   0.316  1.00  0.00           H  
CONECT    1    2    6    6   36                                       
CONECT    2    1    3    3   20                                       
CONECT    3    2    2   45    4                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    1    5   46                                       
CONECT    7    4   22   47    8                                       
CONECT    8    7    9   41                                            
CONECT    9    8   48   49   10                                       
CONECT   10    5    9   50   51                                       
CONECT   11   42   12   16   16                                       
CONECT   12   11   35   13   13                                       
CONECT   13   12   12   52   14                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   16   19                                       
CONECT   16   11   11   15   33                                       
CONECT   17   14   53   18   85                                       
CONECT   18   17   54   84   86                                       
CONECT   19   15   84   55   34                                       
CONECT   20    2   21                                                 
CONECT   21   20   24   28   28                                       
CONECT   22    7   23   56   57                                       
CONECT   23   22   32   32   29                                       
CONECT   24   21   25   25   58                                       
CONECT   25   24   24   34   26                                       
CONECT   26   25   59   27   27                                       
CONECT   27   26   26   60   28                                       
CONECT   28   21   21   27   37                                       
CONECT   29   23   30   30   61                                       
CONECT   30   29   29   38   62                                       
CONECT   31   38   38   63   32                                       
CONECT   32   23   23   31   64                                       
CONECT   33   16   38                                                 
CONECT   34   25   19   65   66                                       
CONECT   35   12   43                                                 
CONECT   36    1   44                                                 
CONECT   37   28   67                                                 
CONECT   38   30   31   31   33                                       
CONECT   39   84   68   69   70                                       
CONECT   40   84   71   72   73                                       
CONECT   41    8   74   75   76                                       
CONECT   42   11   77                                                 
CONECT   43   35   78   79   80                                       
CONECT   44   36   81   82   83                                       
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   18   39   19   40                                       
CONECT   85   17                                                      
CONECT   86   18                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
