COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.909   1.553  -0.884  1.00  0.00           C  
HETATM    2  C   UNL     1       2.810   0.539  -2.188  1.00  0.00           C  
HETATM    3  O   UNL     1       9.524   0.431   0.298  1.00  0.00           O  
HETATM    4  C   UNL     1       8.618  -0.538   0.505  1.00  0.00           C  
HETATM    5  O   UNL     1       8.915  -1.514   1.152  1.00  0.00           O  
HETATM    6  C   UNL     1       7.232  -0.408  -0.070  1.00  0.00           C  
HETATM    7  O   UNL     1       6.459  -1.556   0.285  1.00  0.00           O  
HETATM    8  C   UNL     1       5.175  -1.597  -0.157  1.00  0.00           C  
HETATM    9  C   UNL     1       4.668  -0.554  -0.918  1.00  0.00           C  
HETATM   10  C   UNL     1       4.369  -2.687   0.146  1.00  0.00           C  
HETATM   11 CL   UNL     1       5.000  -3.998   1.092  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.063  -2.726  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1       2.560  -1.681  -1.059  1.00  0.00           C  
HETATM   14  C   UNL     1       3.362  -0.598  -1.367  1.00  0.00           C  
HETATM   15  N   UNL     1       2.219   1.541  -1.298  1.00  0.00           N  
HETATM   16  C   UNL     1       2.889   2.605  -0.758  1.00  0.00           C  
HETATM   17  C   UNL     1       4.345   2.918  -0.991  1.00  0.00           C  
HETATM   18  C   UNL     1       2.059   3.329   0.009  1.00  0.00           C  
HETATM   19  C   UNL     1       2.408   4.576   0.779  1.00  0.00           C  
HETATM   20  C   UNL     1       0.751   2.670  -0.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.487   2.935   0.540  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.179   0.718  -1.133  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.390   0.980  -0.565  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.560   2.088   0.277  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.878   2.358   0.885  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.026   3.319   1.615  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.918   1.538   0.631  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.226   1.805   1.234  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.207   0.749   0.794  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.951   0.934  -0.356  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.851  -0.034  -0.760  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.007  -1.187  -0.014  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.988  -2.243  -0.454  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.395  -1.643  -0.504  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.602  -2.751  -1.845  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.965  -3.407   0.539  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.261  -1.373   1.135  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.358  -0.406   1.537  1.00  0.00           C  
HETATM   39  H   UNL     1       3.615   0.994  -2.765  1.00  0.00           H  
HETATM   40  H   UNL     1       2.046   0.159  -2.866  1.00  0.00           H  
HETATM   41  H   UNL     1      10.401   0.303   0.686  1.00  0.00           H  
HETATM   42  H   UNL     1       6.755   0.488   0.329  1.00  0.00           H  
HETATM   43  H   UNL     1       7.293  -0.333  -1.155  1.00  0.00           H  
HETATM   44  H   UNL     1       5.295   0.292  -1.158  1.00  0.00           H  
HETATM   45  H   UNL     1       2.436  -3.572  -0.071  1.00  0.00           H  
HETATM   46  H   UNL     1       1.540  -1.713  -1.411  1.00  0.00           H  
HETATM   47  H   UNL     1       4.443   3.567  -1.861  1.00  0.00           H  
HETATM   48  H   UNL     1       4.753   3.422  -0.115  1.00  0.00           H  
HETATM   49  H   UNL     1       4.893   1.992  -1.165  1.00  0.00           H  
HETATM   50  H   UNL     1       2.238   5.450   0.149  1.00  0.00           H  
HETATM   51  H   UNL     1       1.781   4.642   1.668  1.00  0.00           H  
HETATM   52  H   UNL     1       3.456   4.540   1.075  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.613   3.790   1.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.062  -0.139  -1.779  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.227   0.328  -0.765  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.799   0.771   0.049  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.135   1.787   2.320  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.579   2.786   0.915  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.830   1.836  -0.939  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.434   0.111  -1.658  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.411  -0.813  -1.211  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.105  -2.406  -0.822  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.670  -1.281   0.487  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.600  -3.179  -1.810  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.311  -3.514  -2.163  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.618  -1.922  -2.552  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.241  -3.045   1.529  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.675  -4.170   0.220  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.963  -3.834   0.574  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.382  -2.274   1.717  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.773  -0.553   2.433  1.00  0.00           H  
CONECT    1   15   22   22   20                                       
CONECT    2   14   15   39   40                                       
CONECT    3    4   41                                                 
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   42   43                                       
CONECT    7    8    6                                                 
CONECT    8   10    7    9    9                                       
CONECT    9    8    8   14   44                                       
CONECT   10   11   12   12    8                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   45                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13    9    2                                       
CONECT   15    2   16    1                                            
CONECT   16   17   15   18   18                                       
CONECT   17   16   47   48   49                                       
CONECT   18   16   16   20   19                                       
CONECT   19   18   50   51   52                                       
CONECT   20    1   18   21   21                                       
CONECT   21   20   20   24   53                                       
CONECT   22    1    1   23   54                                       
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   56                                            
CONECT   28   27   29   57   58                                       
CONECT   29   28   38   38   30                                       
CONECT   30   29   31   31   59                                       
CONECT   31   30   30   32   60                                       
CONECT   32   37   37   31   33                                       
CONECT   33   32   36   35   34                                       
CONECT   34   33   61   62   63                                       
CONECT   35   33   64   65   66                                       
CONECT   36   33   67   68   69                                       
CONECT   37   38   32   32   70                                       
CONECT   38   29   29   37   71                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
