COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.398   5.887   0.948  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.095   4.441   0.552  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.358   3.520   1.745  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.353   0.083   0.611  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.026   0.245   1.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.880   1.514   1.485  1.00  0.00           C  
HETATM    7  C   UNL     1       0.411   2.089   2.012  1.00  0.00           C  
HETATM    8  C   UNL     1       1.354   0.936   2.376  1.00  0.00           C  
HETATM    9  C   UNL     1       0.088  -0.774   1.008  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.098   6.508  -1.286  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.195   8.184   0.207  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.944  -1.153   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.869   9.067  -1.003  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.176  -1.986  -0.770  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.730  -3.134  -1.299  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.048  -3.459  -1.025  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.816  -2.634  -0.221  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.268  -1.486   0.317  1.00  0.00           C  
HETATM   19  C   UNL     1       2.454  -0.304   0.571  1.00  0.00           C  
HETATM   20  C   UNL     1       3.729   0.441   0.871  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.763   7.407  -2.479  1.00  0.00           C  
HETATM   22  C   UNL     1       4.829  -0.024  -0.085  1.00  0.00           C  
HETATM   23  C   UNL     1       6.086   0.820   0.135  1.00  0.00           C  
HETATM   24  C   UNL     1       7.174   0.375  -0.847  1.00  0.00           C  
HETATM   25  C   UNL     1       6.225  -1.968  -0.799  1.00  0.00           C  
HETATM   26  C   UNL     1       5.148  -1.497   0.183  1.00  0.00           C  
HETATM   27  C   UNL     1       8.617  -1.566  -0.468  1.00  0.00           C  
HETATM   28  C   UNL     1      10.968  -1.336  -0.130  1.00  0.00           C  
HETATM   29  C   UNL     1      11.306  -2.302  -1.267  1.00  0.00           C  
HETATM   30  C   UNL     1      10.932  -2.100   1.195  1.00  0.00           C  
HETATM   31  C   UNL     1      12.034  -0.240  -0.057  1.00  0.00           C  
HETATM   32  I   UNL     1      -6.809  -3.132   0.186  1.00  0.00           I  
HETATM   33  N   UNL     1      -2.068   2.134   1.365  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.146   6.772  -0.197  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.983   1.222   0.819  1.00  0.00           N  
HETATM   36  N   UNL     1       1.343  -0.057   1.293  1.00  0.00           N  
HETATM   37  N   UNL     1       7.384  -1.072  -0.696  1.00  0.00           N  
HETATM   38  O   UNL     1      -2.786   8.774  -2.061  1.00  0.00           O  
HETATM   39  O   UNL     1       2.428  -1.127  -0.320  1.00  0.00           O  
HETATM   40  O   UNL     1       8.778  -2.765  -0.345  1.00  0.00           O  
HETATM   41  O   UNL     1       9.670  -0.733  -0.376  1.00  0.00           O  
HETATM   42 CL   UNL     1      -4.739  -4.904  -1.693  1.00  0.00          Cl  
HETATM   43  H   UNL     1      -3.442   5.971   1.249  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.755   6.178   1.780  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.737   4.150  -0.280  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.051   4.357   0.251  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.715   3.810   2.576  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.402   3.603   2.046  1.00  0.00           H  
HETATM   49  H   UNL     1       0.873   2.712   1.246  1.00  0.00           H  
HETATM   50  H   UNL     1       0.208   2.690   2.900  1.00  0.00           H  
HETATM   51  H   UNL     1       2.365   1.321   2.508  1.00  0.00           H  
HETATM   52  H   UNL     1       1.018   0.469   3.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.086  -1.531   1.772  1.00  0.00           H  
HETATM   54  H   UNL     1       0.141  -1.243   0.025  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.111   6.720  -0.943  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.027   5.463  -1.586  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.464   8.363   0.996  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.193   8.423   0.575  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.960  10.117  -0.723  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.851   8.866  -1.337  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.148  -1.734  -0.984  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.134  -3.780  -1.927  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.867  -0.845   0.947  1.00  0.00           H  
HETATM   64  H   UNL     1       3.563   1.511   0.741  1.00  0.00           H  
HETATM   65  H   UNL     1       4.033   0.243   1.899  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.771   7.157  -2.856  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.501   7.254  -3.267  1.00  0.00           H  
HETATM   68  H   UNL     1       4.489   0.093  -1.114  1.00  0.00           H  
HETATM   69  H   UNL     1       5.853   1.872  -0.033  1.00  0.00           H  
HETATM   70  H   UNL     1       6.441   0.685   1.157  1.00  0.00           H  
HETATM   71  H   UNL     1       6.857   0.593  -1.867  1.00  0.00           H  
HETATM   72  H   UNL     1       8.101   0.905  -0.631  1.00  0.00           H  
HETATM   73  H   UNL     1       6.527  -2.986  -0.549  1.00  0.00           H  
HETATM   74  H   UNL     1       5.830  -1.944  -1.815  1.00  0.00           H  
HETATM   75  H   UNL     1       5.512  -1.610   1.204  1.00  0.00           H  
HETATM   76  H   UNL     1       4.246  -2.094   0.049  1.00  0.00           H  
HETATM   77  H   UNL     1      11.332  -1.757  -2.211  1.00  0.00           H  
HETATM   78  H   UNL     1      12.281  -2.754  -1.081  1.00  0.00           H  
HETATM   79  H   UNL     1      10.547  -3.082  -1.318  1.00  0.00           H  
HETATM   80  H   UNL     1      11.906  -2.552   1.381  1.00  0.00           H  
HETATM   81  H   UNL     1      10.691  -1.412   2.005  1.00  0.00           H  
HETATM   82  H   UNL     1      10.173  -2.880   1.144  1.00  0.00           H  
HETATM   83  H   UNL     1      12.059   0.304  -1.001  1.00  0.00           H  
HETATM   84  H   UNL     1      11.793   0.448   0.753  1.00  0.00           H  
HETATM   85  H   UNL     1      13.008  -0.692   0.128  1.00  0.00           H  
CONECT    1   34    2   43   44                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2   33   47   48                                       
CONECT    4    5   35   35   12                                       
CONECT    5    6    6    9    4                                       
CONECT    6    7   33    5    5                                       
CONECT    7    8    6   49   50                                       
CONECT    8    7   36   51   52                                       
CONECT    9   36    5   53   54                                       
CONECT   10   21   34   55   56                                       
CONECT   11   13   34   57   58                                       
CONECT   12    4   18   18   14                                       
CONECT   13   38   11   59   60                                       
CONECT   14   12   15   15   61                                       
CONECT   15   14   14   16   62                                       
CONECT   16   17   17   15   42                                       
CONECT   17   18   32   16   16                                       
CONECT   18   12   12   17   63                                       
CONECT   19   20   36   39   39                                       
CONECT   20   22   19   64   65                                       
CONECT   21   38   10   66   67                                       
CONECT   22   26   23   20   68                                       
CONECT   23   24   22   69   70                                       
CONECT   24   37   23   71   72                                       
CONECT   25   37   26   73   74                                       
CONECT   26   25   22   75   76                                       
CONECT   27   40   40   41   37                                       
CONECT   28   30   31   29   41                                       
CONECT   29   28   77   78   79                                       
CONECT   30   28   80   81   82                                       
CONECT   31   28   83   84   85                                       
CONECT   32   17                                                      
CONECT   33    3    6   35                                            
CONECT   34   11   10    1                                            
CONECT   35   33    4    4                                            
CONECT   36    8   19    9                                            
CONECT   37   27   25   24                                            
CONECT   38   13   21                                                 
CONECT   39   19   19                                                 
CONECT   40   27   27                                                 
CONECT   41   28   27                                                 
CONECT   42   16                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
