COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.143  -7.043  -0.164  1.00  0.00           O  
HETATM    2  C   UNL     1       3.302  -6.117  -0.649  1.00  0.00           C  
HETATM    3  O   UNL     1       2.923  -6.186  -1.794  1.00  0.00           O  
HETATM    4  C   UNL     1       2.829  -4.991   0.234  1.00  0.00           C  
HETATM    5  O   UNL     1       1.948  -4.143  -0.505  1.00  0.00           O  
HETATM    6  C   UNL     1       1.429  -3.071   0.150  1.00  0.00           C  
HETATM    7  C   UNL     1       0.567  -2.206  -0.508  1.00  0.00           C  
HETATM    8  C   UNL     1       1.756  -2.844   1.479  1.00  0.00           C  
HETATM    9  C   UNL     1       1.227  -1.754   2.142  1.00  0.00           C  
HETATM   10  C   UNL     1       0.372  -0.890   1.483  1.00  0.00           C  
HETATM   11  C   UNL     1       0.040  -1.117   0.161  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.897  -0.177  -0.553  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.341  -0.510  -0.173  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.297   0.360  -0.990  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.720   0.032  -0.616  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.400  -0.961  -1.296  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.706  -1.265  -0.957  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.334  -0.576   0.067  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.618  -0.874   0.402  1.00  0.00           O  
HETATM   20  C   UNL     1      -9.259  -1.911  -0.344  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.649   0.423   0.752  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.261   1.103   1.759  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.497   2.115   2.418  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.339   0.720   0.411  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.598   1.190  -0.166  1.00  0.00           O  
HETATM   26  C   UNL     1       0.304   1.850  -0.909  1.00  0.00           C  
HETATM   27  O   UNL     1       0.826   1.304  -1.852  1.00  0.00           O  
HETATM   28  C   UNL     1       0.665   3.273  -0.568  1.00  0.00           C  
HETATM   29  N   UNL     1       2.070   3.336  -0.142  1.00  0.00           N  
HETATM   30  C   UNL     1       2.677   4.652   0.098  1.00  0.00           C  
HETATM   31  C   UNL     1       2.474   5.523  -1.146  1.00  0.00           C  
HETATM   32  C   UNL     1       0.984   5.572  -1.492  1.00  0.00           C  
HETATM   33  C   UNL     1       0.482   4.160  -1.804  1.00  0.00           C  
HETATM   34  C   UNL     1       2.788   2.208   0.027  1.00  0.00           C  
HETATM   35  O   UNL     1       2.317   1.136  -0.294  1.00  0.00           O  
HETATM   36  C   UNL     1       4.159   2.276   0.607  1.00  0.00           C  
HETATM   37  O   UNL     1       4.569   3.315   1.066  1.00  0.00           O  
HETATM   38  C   UNL     1       5.034   1.049   0.620  1.00  0.00           C  
HETATM   39  C   UNL     1       4.348  -0.058   1.423  1.00  0.00           C  
HETATM   40  C   UNL     1       5.263   0.570  -0.815  1.00  0.00           C  
HETATM   41  C   UNL     1       6.379   1.389   1.265  1.00  0.00           C  
HETATM   42  C   UNL     1       7.267   0.143   1.279  1.00  0.00           C  
HETATM   43  H   UNL     1       4.418  -7.746  -0.768  1.00  0.00           H  
HETATM   44  H   UNL     1       2.301  -5.401   1.095  1.00  0.00           H  
HETATM   45  H   UNL     1       3.688  -4.413   0.576  1.00  0.00           H  
HETATM   46  H   UNL     1       0.308  -2.383  -1.541  1.00  0.00           H  
HETATM   47  H   UNL     1       2.424  -3.518   1.994  1.00  0.00           H  
HETATM   48  H   UNL     1       1.481  -1.577   3.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.041  -0.039   2.004  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.770  -0.286  -1.630  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.538  -1.562  -0.382  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.491  -0.317   0.889  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.100   1.411  -0.782  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.147   0.166  -2.053  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.911  -1.499  -2.095  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.236  -2.040  -1.490  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.276  -2.048   0.024  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.288  -1.635  -1.398  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.702  -2.841  -0.226  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.102   2.577   3.197  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.609   1.666   2.865  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.196   2.872   1.694  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.804   1.492   0.944  1.00  0.00           H  
HETATM   64  H   UNL     1       0.023   3.630   0.237  1.00  0.00           H  
HETATM   65  H   UNL     1       2.199   5.124   0.957  1.00  0.00           H  
HETATM   66  H   UNL     1       3.743   4.533   0.294  1.00  0.00           H  
HETATM   67  H   UNL     1       2.835   6.532  -0.947  1.00  0.00           H  
HETATM   68  H   UNL     1       3.029   5.096  -1.982  1.00  0.00           H  
HETATM   69  H   UNL     1       0.428   5.975  -0.646  1.00  0.00           H  
HETATM   70  H   UNL     1       0.835   6.211  -2.362  1.00  0.00           H  
HETATM   71  H   UNL     1       1.054   3.745  -2.634  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.574   4.201  -2.073  1.00  0.00           H  
HETATM   73  H   UNL     1       3.390  -0.299   0.964  1.00  0.00           H  
HETATM   74  H   UNL     1       4.981  -0.945   1.433  1.00  0.00           H  
HETATM   75  H   UNL     1       4.185   0.283   2.446  1.00  0.00           H  
HETATM   76  H   UNL     1       5.752   1.359  -1.388  1.00  0.00           H  
HETATM   77  H   UNL     1       5.896  -0.317  -0.805  1.00  0.00           H  
HETATM   78  H   UNL     1       4.305   0.329  -1.275  1.00  0.00           H  
HETATM   79  H   UNL     1       6.868   2.177   0.693  1.00  0.00           H  
HETATM   80  H   UNL     1       6.216   1.730   2.287  1.00  0.00           H  
HETATM   81  H   UNL     1       7.430  -0.198   0.256  1.00  0.00           H  
HETATM   82  H   UNL     1       8.226   0.385   1.738  1.00  0.00           H  
HETATM   83  H   UNL     1       6.778  -0.646   1.851  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   44   45                                       
CONECT    5    4    6                                                 
CONECT    6    8    5    7    7                                       
CONECT    7    6    6   11   46                                       
CONECT    8    9    9    6   47                                       
CONECT    9    8    8   10   48                                       
CONECT   10    9   11   11   49                                       
CONECT   11   10   10    7   12                                       
CONECT   12   11   25   13   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   16   24                                       
CONECT   16   15   15   17   55                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   21   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   57   58   59                                       
CONECT   21   24   24   18   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   60   61   62                                       
CONECT   24   15   21   21   63                                       
CONECT   25   26   12                                                 
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   33   29   26   64                                       
CONECT   29   30   28   34                                            
CONECT   30   31   29   65   66                                       
CONECT   31   32   30   67   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   32   28   71   72                                       
CONECT   34   29   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   37   37   34   38                                       
CONECT   37   36   36                                                 
CONECT   38   39   36   40   41                                       
CONECT   39   38   73   74   75                                       
CONECT   40   38   76   77   78                                       
CONECT   41   38   42   79   80                                       
CONECT   42   41   81   82   83                                       
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
