COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.257   0.120   0.916  1.00  0.00           O  
HETATM    2  C   UNL     1       3.406   0.491   0.760  1.00  0.00           C  
HETATM    3  N   UNL     1       4.427  -0.313   1.116  1.00  0.00           N  
HETATM    4  C   UNL     1       4.161  -1.683   1.561  1.00  0.00           C  
HETATM    5  C   UNL     1       4.236  -2.618   0.381  1.00  0.00           C  
HETATM    6  C   UNL     1       4.403  -2.110  -0.894  1.00  0.00           C  
HETATM    7  C   UNL     1       4.472  -2.967  -1.976  1.00  0.00           C  
HETATM    8  C   UNL     1       4.375  -4.333  -1.783  1.00  0.00           C  
HETATM    9  C   UNL     1       4.208  -4.841  -0.509  1.00  0.00           C  
HETATM   10  C   UNL     1       4.102  -6.329  -0.299  1.00  0.00           C  
HETATM   11  C   UNL     1       4.145  -3.984   0.574  1.00  0.00           C  
HETATM   12  C   UNL     1       3.970  -4.538   1.964  1.00  0.00           C  
HETATM   13  C   UNL     1       5.805   0.183   1.059  1.00  0.00           C  
HETATM   14  C   UNL     1       6.871  -0.603   1.823  1.00  0.00           C  
HETATM   15  C   UNL     1       6.403   0.757   2.345  1.00  0.00           C  
HETATM   16  C   UNL     1       3.678   1.806   0.180  1.00  0.00           C  
HETATM   17  C   UNL     1       5.109   2.238  -0.009  1.00  0.00           C  
HETATM   18  N   UNL     1       5.168   3.708  -0.065  1.00  0.00           N  
HETATM   19  C   UNL     1       5.591   1.690  -1.363  1.00  0.00           C  
HETATM   20  N   UNL     1       4.647   2.146  -2.396  1.00  0.00           N  
HETATM   21  C   UNL     1       4.619   3.612  -2.467  1.00  0.00           C  
HETATM   22  C   UNL     1       4.278   4.216  -1.114  1.00  0.00           C  
HETATM   23  C   UNL     1       2.825   3.967  -0.734  1.00  0.00           C  
HETATM   24  C   UNL     1       2.648   2.586  -0.171  1.00  0.00           C  
HETATM   25  C   UNL     1       1.283   2.069   0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       0.414   2.680   0.919  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.863   2.193   1.081  1.00  0.00           C  
HETATM   28  C   UNL     1       0.846   0.968  -0.739  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.433   0.489  -0.569  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.290   1.096   0.342  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.550   0.619   0.507  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.925  -0.511  -0.284  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.369  -0.902   0.037  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.248   0.150  -0.367  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.577  -0.039  -0.151  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.152   0.368   1.045  1.00  0.00           C  
HETATM   37 CL   UNL     1      -6.175   1.120   2.267  1.00  0.00          Cl  
HETATM   38  C   UNL     1      -8.503   0.174   1.261  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.282  -0.424   0.288  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.755  -0.634   0.528  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.712  -0.831  -0.904  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.362  -0.635  -1.128  1.00  0.00           C  
HETATM   43 CL   UNL     1      -6.648  -1.139  -2.628  1.00  0.00          Cl  
HETATM   44  H   UNL     1       4.903  -1.975   2.304  1.00  0.00           H  
HETATM   45  H   UNL     1       3.165  -1.735   2.002  1.00  0.00           H  
HETATM   46  H   UNL     1       4.478  -1.043  -1.044  1.00  0.00           H  
HETATM   47  H   UNL     1       4.602  -2.570  -2.972  1.00  0.00           H  
HETATM   48  H   UNL     1       4.429  -5.002  -2.629  1.00  0.00           H  
HETATM   49  H   UNL     1       5.097  -6.745  -0.138  1.00  0.00           H  
HETATM   50  H   UNL     1       3.479  -6.530   0.572  1.00  0.00           H  
HETATM   51  H   UNL     1       3.654  -6.789  -1.180  1.00  0.00           H  
HETATM   52  H   UNL     1       2.911  -4.713   2.155  1.00  0.00           H  
HETATM   53  H   UNL     1       4.515  -5.478   2.053  1.00  0.00           H  
HETATM   54  H   UNL     1       4.356  -3.824   2.692  1.00  0.00           H  
HETATM   55  H   UNL     1       6.099   0.646   0.117  1.00  0.00           H  
HETATM   56  H   UNL     1       6.549  -1.490   2.369  1.00  0.00           H  
HETATM   57  H   UNL     1       7.867  -0.658   1.384  1.00  0.00           H  
HETATM   58  H   UNL     1       7.091   1.597   2.249  1.00  0.00           H  
HETATM   59  H   UNL     1       5.772   0.765   3.234  1.00  0.00           H  
HETATM   60  H   UNL     1       5.728   1.866   0.808  1.00  0.00           H  
HETATM   61  H   UNL     1       4.940   4.113   0.830  1.00  0.00           H  
HETATM   62  H   UNL     1       6.589   2.072  -1.581  1.00  0.00           H  
HETATM   63  H   UNL     1       5.611   0.601  -1.334  1.00  0.00           H  
HETATM   64  H   UNL     1       4.871   1.744  -3.294  1.00  0.00           H  
HETATM   65  H   UNL     1       5.597   3.973  -2.785  1.00  0.00           H  
HETATM   66  H   UNL     1       3.870   3.921  -3.196  1.00  0.00           H  
HETATM   67  H   UNL     1       4.418   5.295  -1.181  1.00  0.00           H  
HETATM   68  H   UNL     1       2.518   4.702   0.010  1.00  0.00           H  
HETATM   69  H   UNL     1       2.199   4.071  -1.620  1.00  0.00           H  
HETATM   70  H   UNL     1       0.746   3.532   1.494  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.534   2.664   1.785  1.00  0.00           H  
HETATM   72  H   UNL     1       1.511   0.496  -1.447  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.771  -0.361  -1.144  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.843  -0.258  -1.341  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.263  -1.347  -0.058  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.625  -1.816  -0.499  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.470  -1.069   1.109  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.951   0.491   2.192  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.308   0.237   0.176  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.089  -1.519  -0.014  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.934  -0.772   1.594  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.323  -1.298  -1.662  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2   13    4                                            
CONECT    4    3    5   44   45                                       
CONECT    5    4   11   11    6                                       
CONECT    6    5    7    7   46                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8   11   10                                       
CONECT   10    9   49   50   51                                       
CONECT   11    5    5    9   12                                       
CONECT   12   11   52   53   54                                       
CONECT   13    3   15   14   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   13   14   58   59                                       
CONECT   16    2   24   24   17                                       
CONECT   17   16   18   19   60                                       
CONECT   18   17   22   61                                            
CONECT   19   17   20   62   63                                       
CONECT   20   19   21   64                                            
CONECT   21   20   22   65   66                                       
CONECT   22   18   21   23   67                                       
CONECT   23   22   24   68   69                                       
CONECT   24   16   16   23   25                                       
CONECT   25   24   28   28   26                                       
CONECT   26   25   27   27   70                                       
CONECT   27   26   26   30   71                                       
CONECT   28   25   25   29   72                                       
CONECT   29   28   30   30   73                                       
CONECT   30   27   29   29   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35                                                 
CONECT   35   34   42   42   36                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36                                                      
CONECT   38   36   36   39   78                                       
CONECT   39   38   41   41   40                                       
CONECT   40   39   79   80   81                                       
CONECT   41   39   39   42   82                                       
CONECT   42   35   35   41   43                                       
CONECT   43   42                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
