COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.677   0.383   1.021  1.00  0.00           N  
HETATM    2  C   UNL     1       4.821   0.713  -0.122  1.00  0.00           C  
HETATM    3  C   UNL     1       3.480   1.186   0.375  1.00  0.00           C  
HETATM    4  O   UNL     1       3.119   0.914   1.501  1.00  0.00           O  
HETATM    5  C   UNL     1       4.632  -0.531  -0.993  1.00  0.00           C  
HETATM    6  C   UNL     1       5.950  -0.913  -1.616  1.00  0.00           C  
HETATM    7  C   UNL     1       6.715  -1.920  -1.055  1.00  0.00           C  
HETATM    8  C   UNL     1       6.392  -0.260  -2.751  1.00  0.00           C  
HETATM    9  C   UNL     1       7.924  -2.270  -1.629  1.00  0.00           C  
HETATM   10  C   UNL     1       7.598  -0.615  -3.327  1.00  0.00           C  
HETATM   11  C   UNL     1       8.368  -1.614  -2.761  1.00  0.00           C  
HETATM   12  C   UNL     1       5.305  -0.582   1.885  1.00  0.00           C  
HETATM   13  C   UNL     1       6.188  -0.925   3.057  1.00  0.00           C  
HETATM   14  C   UNL     1       2.993   2.315  -1.815  1.00  0.00           C  
HETATM   15  C   UNL     1       2.135   3.581  -2.065  1.00  0.00           C  
HETATM   16  C   UNL     1       0.833   3.232  -1.297  1.00  0.00           C  
HETATM   17  C   UNL     1       1.352   2.441  -0.079  1.00  0.00           C  
HETATM   18  C   UNL     1       0.414   1.297   0.205  1.00  0.00           C  
HETATM   19  C   UNL     1       1.462   3.358   1.104  1.00  0.00           C  
HETATM   20  C   UNL     1       0.535   3.467   2.011  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.733   2.667   1.939  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.182   2.231   3.353  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.045   0.982   3.016  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.276   0.342   1.838  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.249  -0.197   0.822  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.206  -1.687   0.347  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.746  -0.814  -0.690  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.510   0.187  -2.102  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.451   1.453  -1.286  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.973  -0.176  -2.391  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.196  -1.532  -1.695  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.761  -2.097  -1.523  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.785  -3.082  -0.418  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.211  -3.140   0.704  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.240  -2.232   1.324  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.346  -2.875   2.404  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.139  -1.903   2.453  1.00  0.00           C  
HETATM   38  N   UNL     1       2.681   1.914  -0.431  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.462   1.406   1.222  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.117  -1.168   1.169  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.905  -0.928  -1.339  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.948   2.601  -1.787  1.00  0.00           N  
HETATM   43  O   UNL     1       4.260  -1.174   1.719  1.00  0.00           O  
HETATM   44  O   UNL     1       0.447   0.292  -0.473  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.252   0.243  -0.309  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.055   0.133  -1.000  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.955   1.439  -0.179  1.00  0.00           O  
HETATM   48 CL   UNL     1       6.157  -2.744   0.367  1.00  0.00          Cl  
HETATM   49  H   UNL     1       6.513   0.857   1.153  1.00  0.00           H  
HETATM   50  H   UNL     1       5.290   1.501  -0.711  1.00  0.00           H  
HETATM   51  H   UNL     1       4.270  -1.354  -0.377  1.00  0.00           H  
HETATM   52  H   UNL     1       3.907  -0.318  -1.778  1.00  0.00           H  
HETATM   53  H   UNL     1       5.795   0.526  -3.189  1.00  0.00           H  
HETATM   54  H   UNL     1       8.522  -3.056  -1.191  1.00  0.00           H  
HETATM   55  H   UNL     1       7.945  -0.102  -4.212  1.00  0.00           H  
HETATM   56  H   UNL     1       9.310  -1.890  -3.211  1.00  0.00           H  
HETATM   57  H   UNL     1       5.913  -0.308   3.912  1.00  0.00           H  
HETATM   58  H   UNL     1       6.060  -1.977   3.312  1.00  0.00           H  
HETATM   59  H   UNL     1       7.229  -0.739   2.794  1.00  0.00           H  
HETATM   60  H   UNL     1       2.714   1.524  -2.511  1.00  0.00           H  
HETATM   61  H   UNL     1       4.052   2.550  -1.912  1.00  0.00           H  
HETATM   62  H   UNL     1       2.612   4.465  -1.644  1.00  0.00           H  
HETATM   63  H   UNL     1       1.937   3.714  -3.129  1.00  0.00           H  
HETATM   64  H   UNL     1       0.318   4.138  -0.978  1.00  0.00           H  
HETATM   65  H   UNL     1       0.177   2.614  -1.911  1.00  0.00           H  
HETATM   66  H   UNL     1       2.354   3.956   1.207  1.00  0.00           H  
HETATM   67  H   UNL     1       0.682   4.150   2.836  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.519   3.234   1.441  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.325   1.962   3.971  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.780   3.006   3.832  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.086   0.301   3.866  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.049   1.277   2.711  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.634  -0.459   2.204  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.807  -2.563  -0.164  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.973   0.327  -3.039  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.640   0.578  -1.972  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.135  -0.269  -3.465  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.671  -1.391  -0.724  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.795  -2.192  -2.323  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.470  -2.612  -2.439  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.430  -3.927  -0.612  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.478  -3.997   1.305  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.773  -1.397   1.778  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.859  -2.905   3.365  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.028  -3.872   2.101  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.260  -1.202   3.279  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.214  -2.466   2.573  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.344   2.613  -2.672  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.909   3.416  -1.262  1.00  0.00           H  
CONECT    1    2   12   49                                            
CONECT    2    5    1    3   50                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   51   52                                       
CONECT    6    8    8    7    5                                       
CONECT    7    9    9    6   48                                       
CONECT    8   10    6    6   53                                       
CONECT    9   11    7    7   54                                       
CONECT   10   11   11    8   55                                       
CONECT   11   10   10    9   56                                       
CONECT   12    1   43   43   13                                       
CONECT   13   12   57   58   59                                       
CONECT   14   38   15   60   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   18   38   16   19                                       
CONECT   18   44   44   39   17                                       
CONECT   19   17   20   20   66                                       
CONECT   20   21   19   19   67                                       
CONECT   21   39   22   20   68                                       
CONECT   22   23   21   69   70                                       
CONECT   23   24   22   71   72                                       
CONECT   24   25   23   39   73                                       
CONECT   25   40   24   45   45                                       
CONECT   26   35   27   40   74                                       
CONECT   27   26   41   46   46                                       
CONECT   28   30   41   29   75                                       
CONECT   29   47   47   28   42                                       
CONECT   30   31   28   76   77                                       
CONECT   31   32   30   78   79                                       
CONECT   32   33   31   41   80                                       
CONECT   33   34   34   32   81                                       
CONECT   34   33   33   35   82                                       
CONECT   35   34   36   26   83                                       
CONECT   36   35   37   84   85                                       
CONECT   37   36   40   86   87                                       
CONECT   38    3   14   17                                            
CONECT   39   24   18   21                                            
CONECT   40   37   26   25                                            
CONECT   41   32   28   27                                            
CONECT   42   29   88   89                                            
CONECT   43   12   12                                                 
CONECT   44   18   18                                                 
CONECT   45   25   25                                                 
CONECT   46   27   27                                                 
CONECT   47   29   29                                                 
CONECT   48    7                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
