COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.242   3.418  -0.871  1.00  0.00           C  
HETATM    2  O   UNL     1       3.335   1.208  -0.505  1.00  0.00           O  
HETATM    3  O   UNL     1       3.322   5.859   2.405  1.00  0.00           O  
HETATM    4  C   UNL     1       4.701   4.155   1.391  1.00  0.00           C  
HETATM    5  C   UNL     1       4.048   4.658   2.681  1.00  0.00           C  
HETATM    6  C   UNL     1       2.303   5.701   1.413  1.00  0.00           C  
HETATM    7  C   UNL     1       2.939   5.209   0.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.429  -1.201   0.329  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.681  -0.611   0.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.637  -2.703   0.902  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.343  -3.219   0.985  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.811  -1.363   0.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.080  -1.044   0.039  1.00  0.00           C  
HETATM   14  C   UNL     1       4.554   1.932  -0.685  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.566   1.653  -1.678  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.814   1.904  -2.220  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.847   0.649  -0.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.635   0.355   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.468   0.864  -0.541  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.128   0.568   0.080  1.00  0.00           C  
HETATM   21  C   UNL     1       7.523  -1.465  -1.471  1.00  0.00           C  
HETATM   22  C   UNL     1       8.643  -0.493  -1.708  1.00  0.00           C  
HETATM   23  C   UNL     1       9.121  -0.706   0.646  1.00  0.00           C  
HETATM   24  C   UNL     1       7.767  -1.339   0.972  1.00  0.00           C  
HETATM   25  C   UNL     1       3.605  -4.294   0.239  1.00  0.00           C  
HETATM   26  C   UNL     1      10.134   1.085  -0.635  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.959   1.400   1.352  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.769  -3.523   1.212  1.00  0.00           C  
HETATM   29  C   UNL     1       2.285  -0.913  -0.143  1.00  0.00           C  
HETATM   30  C   UNL     1       3.436  -0.133  -0.326  1.00  0.00           C  
HETATM   31  C   UNL     1       4.680  -0.750  -0.321  1.00  0.00           C  
HETATM   32  C   UNL     1       4.739  -2.122  -0.135  1.00  0.00           C  
HETATM   33  CA  UNL     1       3.553  -2.837   0.041  1.00  0.00           C  
HETATM   34  C   UNL     1       6.067  -2.833  -0.124  1.00  0.00           C  
HETATM   35  N   UNL     1       3.664   3.956   0.368  1.00  0.00           N  
HETATM   36  N   UNL     1       2.376  -2.215   0.031  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.300  -2.467   0.702  1.00  0.00           N  
HETATM   38  N   UNL     1       1.031  -0.302  -0.141  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.292  -0.454   0.041  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.901   1.402  -1.668  1.00  0.00           N  
HETATM   41  N   UNL     1       7.148  -1.852  -0.247  1.00  0.00           N  
HETATM   42  N   UNL     1       8.945   0.238  -0.470  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.667  -4.174   1.457  1.00  0.00           N  
HETATM   44  O   UNL     1      -6.050  -0.822   0.405  1.00  0.00           O  
HETATM   45  O   UNL     1       0.011  -2.246   0.199  1.00  0.00           O  
HETATM   46  O   UNL     1       6.930  -1.914  -2.429  1.00  0.00           O  
HETATM   47  O   UNL     1       4.676  -4.854   0.344  1.00  0.00           O  
HETATM   48 CL   UNL     1      -8.574  -0.638   1.433  1.00  0.00          Cl  
HETATM   49 CL   UNL     1      -6.139   2.312  -2.416  1.00  0.00          Cl  
HETATM   50  H   UNL     1       5.161   3.956  -1.106  1.00  0.00           H  
HETATM   51  H   UNL     1       3.530   3.541  -1.687  1.00  0.00           H  
HETATM   52  H   UNL     1       5.424   4.890   1.038  1.00  0.00           H  
HETATM   53  H   UNL     1       5.208   3.209   1.584  1.00  0.00           H  
HETATM   54  H   UNL     1       4.819   4.861   3.424  1.00  0.00           H  
HETATM   55  H   UNL     1       3.364   3.900   3.063  1.00  0.00           H  
HETATM   56  H   UNL     1       1.569   4.973   1.758  1.00  0.00           H  
HETATM   57  H   UNL     1       1.813   6.660   1.240  1.00  0.00           H  
HETATM   58  H   UNL     1       2.159   5.033  -0.631  1.00  0.00           H  
HETATM   59  H   UNL     1       3.634   5.961  -0.263  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.774   0.419  -0.093  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.195  -4.245   1.290  1.00  0.00           H  
HETATM   62  H   UNL     1       5.073   1.557  -1.567  1.00  0.00           H  
HETATM   63  H   UNL     1       5.187   1.801   0.193  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.898   2.517  -3.105  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.760   0.256  -0.165  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.336   0.820  -0.626  1.00  0.00           H  
HETATM   67  H   UNL     1       9.531  -1.036  -2.034  1.00  0.00           H  
HETATM   68  H   UNL     1       8.350   0.215  -2.483  1.00  0.00           H  
HETATM   69  H   UNL     1       9.495  -0.173   1.520  1.00  0.00           H  
HETATM   70  H   UNL     1       9.830  -1.483   0.359  1.00  0.00           H  
HETATM   71  H   UNL     1       7.911  -2.158   1.676  1.00  0.00           H  
HETATM   72  H   UNL     1       7.115  -0.588   1.419  1.00  0.00           H  
HETATM   73  H   UNL     1       2.690  -4.865   0.291  1.00  0.00           H  
HETATM   74  H   UNL     1       9.984   1.760  -1.478  1.00  0.00           H  
HETATM   75  H   UNL     1      10.294   1.667   0.273  1.00  0.00           H  
HETATM   76  H   UNL     1      11.005   0.457  -0.822  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.751   1.148   2.059  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.990   1.185   1.802  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.018   2.460   1.104  1.00  0.00           H  
HETATM   80  H   UNL     1       5.583  -0.173  -0.460  1.00  0.00           H  
HETATM   81  H   UNL     1       6.178  -3.380   0.813  1.00  0.00           H  
HETATM   82  H   UNL     1       6.113  -3.531  -0.960  1.00  0.00           H  
HETATM   83  H   UNL     1       0.958   0.657  -0.269  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.371   0.493  -0.158  1.00  0.00           H  
CONECT    1   35   14   50   51                                       
CONECT    2   30   14                                                 
CONECT    3    6    5                                                 
CONECT    4    5   35   52   53                                       
CONECT    5    3    4   54   55                                       
CONECT    6    3    7   56   57                                       
CONECT    7    6   35   58   59                                       
CONECT    8    9    9   37   39                                       
CONECT    9   12    8    8   60                                       
CONECT   10   28   12   12   11                                       
CONECT   11   10   37   37   61                                       
CONECT   12   44   10   10    9                                       
CONECT   13   45   45   39   38                                       
CONECT   14    2    1   62   63                                       
CONECT   15   49   16   16   19                                       
CONECT   16   15   15   40   64                                       
CONECT   17   40   40   18   65                                       
CONECT   18   19   19   17   48                                       
CONECT   19   15   20   18   18                                       
CONECT   20   27   19   44   66                                       
CONECT   21   41   46   46   22                                       
CONECT   22   21   42   67   68                                       
CONECT   23   24   42   69   70                                       
CONECT   24   41   23   71   72                                       
CONECT   25   47   47   33   73                                       
CONECT   26   42   74   75   76                                       
CONECT   27   20   77   78   79                                       
CONECT   28   43   43   43   10                                       
CONECT   29   38   36   36   30                                       
CONECT   30   29    2   31   31                                       
CONECT   31   30   30   32   80                                       
CONECT   32   33   33   31   34                                       
CONECT   33   36   25   32   32                                       
CONECT   34   32   41   81   82                                       
CONECT   35    7    4    1                                            
CONECT   36   29   29   33                                            
CONECT   37   11   11    8                                            
CONECT   38   13   29   83                                            
CONECT   39    8   13   84                                            
CONECT   40   16   17   17                                            
CONECT   41   34   24   21                                            
CONECT   42   23   22   26                                            
CONECT   43   28   28   28                                            
CONECT   44   20   12                                                 
CONECT   45   13   13                                                 
CONECT   46   21   21                                                 
CONECT   47   25   25                                                 
CONECT   48   18                                                      
CONECT   49   15                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   31                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
