COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.942   1.926   0.344  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.984   1.242  -0.116  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.821   0.274  -1.005  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.626  -0.058  -1.475  1.00  0.00           N  
HETATM    5  C   UNL     1       0.458   0.584  -1.059  1.00  0.00           C  
HETATM    6  C   UNL     1       0.310   1.612  -0.126  1.00  0.00           C  
HETATM    7  N   UNL     1       1.718   0.260  -1.533  1.00  0.00           N  
HETATM    8  C   UNL     1       2.831   0.887  -1.133  1.00  0.00           C  
HETATM    9  N   UNL     1       2.831   1.890  -0.237  1.00  0.00           N  
HETATM   10  C   UNL     1       1.549   2.335   0.341  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.934  -0.414  -1.458  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.194  -0.148  -0.907  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.526   1.145  -0.525  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.768   1.407   0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.685   0.377   0.183  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.354  -0.916  -0.200  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.114  -1.177  -0.748  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.944   0.643   0.734  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.752  -0.582   0.816  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.087  -0.265   1.495  1.00  0.00           C  
HETATM   21  N   UNL     1     -10.788   0.775   0.729  1.00  0.00           N  
HETATM   22  C   UNL     1      -9.980   2.000   0.647  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.646   1.683  -0.032  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.109   1.054   1.308  1.00  0.00           C  
HETATM   25  C   UNL     1       4.030   2.506   0.140  1.00  0.00           C  
HETATM   26  C   UNL     1       4.759   3.234  -0.791  1.00  0.00           C  
HETATM   27  C   UNL     1       5.946   3.844  -0.418  1.00  0.00           C  
HETATM   28  C   UNL     1       6.406   3.727   0.885  1.00  0.00           C  
HETATM   29  C   UNL     1       5.679   3.000   1.816  1.00  0.00           C  
HETATM   30  C   UNL     1       4.488   2.394   1.445  1.00  0.00           C  
HETATM   31  O   UNL     1       6.131   2.886   3.092  1.00  0.00           O  
HETATM   32  O   UNL     1       6.660   4.556  -1.329  1.00  0.00           O  
HETATM   33  C   UNL     1       7.362   3.540   3.406  1.00  0.00           C  
HETATM   34  C   UNL     1       7.874   5.158  -0.875  1.00  0.00           C  
HETATM   35  O   UNL     1       3.895   0.534  -1.604  1.00  0.00           O  
HETATM   36  C   UNL     1       1.838  -0.820  -2.516  1.00  0.00           C  
HETATM   37  C   UNL     1       2.033  -2.132  -1.800  1.00  0.00           C  
HETATM   38  C   UNL     1       3.309  -2.570  -1.497  1.00  0.00           C  
HETATM   39  C   UNL     1       3.490  -3.772  -0.841  1.00  0.00           C  
HETATM   40  C   UNL     1       2.389  -4.540  -0.485  1.00  0.00           C  
HETATM   41  C   UNL     1       1.109  -4.097  -0.791  1.00  0.00           C  
HETATM   42  C   UNL     1       0.934  -2.892  -1.442  1.00  0.00           C  
HETATM   43  N   UNL     1       2.570  -5.758   0.179  1.00  0.00           N  
HETATM   44  C   UNL     1       3.672  -5.960   0.928  1.00  0.00           C  
HETATM   45  C   UNL     1       3.933  -7.315   1.535  1.00  0.00           C  
HETATM   46  C   UNL     1       5.239  -7.275   2.330  1.00  0.00           C  
HETATM   47  O   UNL     1       4.454  -5.052   1.114  1.00  0.00           O  
HETATM   48  H   UNL     1      -1.076   2.715   1.069  1.00  0.00           H  
HETATM   49  H   UNL     1       1.427   3.394   0.114  1.00  0.00           H  
HETATM   50  H   UNL     1       1.613   2.231   1.424  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.841  -1.081  -2.157  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.812   1.945  -0.652  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.025   2.412   0.317  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.067  -1.716  -0.072  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.857  -2.182  -1.049  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.937  -0.964  -0.188  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.699  -1.165   1.531  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.515   2.750   0.065  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.033   2.583  -0.068  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.991   1.397   2.336  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.607   1.827   0.722  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.710   0.145   1.295  1.00  0.00           H  
HETATM   63  H   UNL     1       4.401   3.325  -1.806  1.00  0.00           H  
HETATM   64  H   UNL     1       7.332   4.203   1.176  1.00  0.00           H  
HETATM   65  H   UNL     1       3.920   1.832   2.171  1.00  0.00           H  
HETATM   66  H   UNL     1       7.607   3.370   4.454  1.00  0.00           H  
HETATM   67  H   UNL     1       8.157   3.140   2.777  1.00  0.00           H  
HETATM   68  H   UNL     1       7.260   4.611   3.226  1.00  0.00           H  
HETATM   69  H   UNL     1       8.344   5.695  -1.699  1.00  0.00           H  
HETATM   70  H   UNL     1       7.654   5.855  -0.066  1.00  0.00           H  
HETATM   71  H   UNL     1       8.550   4.384  -0.514  1.00  0.00           H  
HETATM   72  H   UNL     1       0.931  -0.866  -3.118  1.00  0.00           H  
HETATM   73  H   UNL     1       2.694  -0.629  -3.163  1.00  0.00           H  
HETATM   74  H   UNL     1       4.164  -1.972  -1.774  1.00  0.00           H  
HETATM   75  H   UNL     1       4.487  -4.114  -0.606  1.00  0.00           H  
HETATM   76  H   UNL     1       0.251  -4.692  -0.516  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.061  -2.545  -1.676  1.00  0.00           H  
HETATM   78  H   UNL     1       1.902  -6.457   0.100  1.00  0.00           H  
HETATM   79  H   UNL     1       3.110  -7.580   2.199  1.00  0.00           H  
HETATM   80  H   UNL     1       4.013  -8.059   0.742  1.00  0.00           H  
HETATM   81  H   UNL     1       6.061  -7.010   1.666  1.00  0.00           H  
HETATM   82  H   UNL     1       5.159  -6.531   3.123  1.00  0.00           H  
HETATM   83  H   UNL     1       5.427  -8.255   2.769  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.217  -1.332   1.398  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.903   0.091   2.509  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.795   2.382   1.651  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.829   1.326  -1.046  1.00  0.00           H  
CONECT    1    6    6    2   48                                       
CONECT    2    3    3    1                                            
CONECT    3    4   11    2    2                                       
CONECT    4    5    5    3                                            
CONECT    5    7    4    4    6                                       
CONECT    6    5   10    1    1                                       
CONECT    7   36    8    5                                            
CONECT    8    7   35   35    9                                       
CONECT    9    8   10   25                                            
CONECT   10    6    9   49   50                                       
CONECT   11    3   12   51                                            
CONECT   12   13   11   17   17                                       
CONECT   13   14   14   12   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   14   18   16   16                                       
CONECT   16   15   15   17   54                                       
CONECT   17   12   12   16   55                                       
CONECT   18   23   15   19                                            
CONECT   19   18   20   56   84                                       
CONECT   20   21   19   57   85                                       
CONECT   21   22   24   20                                            
CONECT   22   23   21   58   86                                       
CONECT   23   22   18   59   87                                       
CONECT   24   21   60   61   62                                       
CONECT   25   26    9   30   30                                       
CONECT   26   27   27   25   63                                       
CONECT   27   32   26   26   28                                       
CONECT   28   27   29   29   64                                       
CONECT   29   28   28   30   31                                       
CONECT   30   25   25   29   65                                       
CONECT   31   29   33                                                 
CONECT   32   34   27                                                 
CONECT   33   31   66   67   68                                       
CONECT   34   32   69   70   71                                       
CONECT   35    8    8                                                 
CONECT   36    7   37   72   73                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   74                                       
CONECT   39   38   40   40   75                                       
CONECT   40   39   39   41   43                                       
CONECT   41   42   42   40   76                                       
CONECT   42   37   41   41   77                                       
CONECT   43   40   44   78                                            
CONECT   44   47   47   43   45                                       
CONECT   45   44   46   79   80                                       
CONECT   46   45   81   82   83                                       
CONECT   47   44   44                                                 
CONECT   48    1                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
