COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.492  -2.975  -1.480  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.717  -3.612  -1.518  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.679  -1.333  -0.688  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.655  -2.150  -0.971  1.00  0.00           N  
HETATM    5  C   UNL     1      -8.490  -0.689   0.495  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.155  -0.382   0.246  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.094   0.896   0.503  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.386   0.718   0.840  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.327   1.995   1.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.919   1.973   0.557  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.610   2.682  -0.590  1.00  0.00           C  
HETATM   12  N   UNL     1       2.001   1.202  -0.325  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.323   2.666  -1.088  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.333   1.933  -0.432  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.652   1.220   0.725  1.00  0.00           C  
HETATM   16  N   UNL     1       5.337  -0.316  -0.758  1.00  0.00           N  
HETATM   17  O   UNL     1      -6.917   1.470   1.636  1.00  0.00           O  
HETATM   18  N   UNL     1      -9.342  -0.016   1.347  1.00  0.00           N  
HETATM   19  N   UNL     1      -8.792  -1.777  -0.248  1.00  0.00           N  
HETATM   20  C   UNL     1     -10.037  -2.420  -0.291  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.818  -2.501   0.854  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.045  -3.134   0.808  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.490  -3.696  -0.375  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.941   1.248   1.215  1.00  0.00           C  
HETATM   25  C   UNL     1       1.047   1.911  -0.961  1.00  0.00           C  
HETATM   26  O   UNL     1       1.322   2.532  -1.969  1.00  0.00           O  
HETATM   27  C   UNL     1       3.369   1.180  -0.849  1.00  0.00           C  
HETATM   28  C   UNL     1       4.134   2.398  -0.328  1.00  0.00           C  
HETATM   29  C   UNL     1       3.505   3.674  -0.891  1.00  0.00           C  
HETATM   30  C   UNL     1       4.270   4.893  -0.371  1.00  0.00           C  
HETATM   31  C   UNL     1       3.722   6.160  -1.031  1.00  0.00           C  
HETATM   32  C   UNL     1       4.486   7.378  -0.510  1.00  0.00           C  
HETATM   33  C   UNL     1       4.315   7.478   1.007  1.00  0.00           C  
HETATM   34  C   UNL     1       4.863   6.211   1.667  1.00  0.00           C  
HETATM   35  C   UNL     1       4.098   4.993   1.146  1.00  0.00           C  
HETATM   36  C   UNL     1       4.061  -0.079  -0.394  1.00  0.00           C  
HETATM   37  O   UNL     1       3.470  -0.880   0.299  1.00  0.00           O  
HETATM   38  C   UNL     1       6.010  -1.540  -0.317  1.00  0.00           C  
HETATM   39  C   UNL     1       7.438  -1.563  -0.863  1.00  0.00           C  
HETATM   40  C   UNL     1       8.130  -2.822  -0.409  1.00  0.00           C  
HETATM   41  C   UNL     1       8.062  -3.966  -1.183  1.00  0.00           C  
HETATM   42  C   UNL     1       8.697  -5.121  -0.767  1.00  0.00           C  
HETATM   43  C   UNL     1       9.400  -5.133   0.425  1.00  0.00           C  
HETATM   44 CL   UNL     1      10.197  -6.583   0.948  1.00  0.00          Cl  
HETATM   45  C   UNL     1       9.467  -3.988   1.199  1.00  0.00           C  
HETATM   46  C   UNL     1       8.837  -2.832   0.779  1.00  0.00           C  
HETATM   47  H   UNL     1      -9.887  -2.913  -2.372  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.072  -4.044  -2.442  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.679  -1.377  -1.093  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.671   0.297  -0.132  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.798   2.944   0.843  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.303   1.878   2.179  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.377   3.248  -1.097  1.00  0.00           H  
HETATM   54  H   UNL     1       1.782   0.706   0.479  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.083   3.219  -1.984  1.00  0.00           H  
HETATM   56  H   UNL     1       0.109   0.650   1.237  1.00  0.00           H  
HETATM   57  H   UNL     1       5.810   0.324  -1.312  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.023   0.754   1.842  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.260  -0.312   1.449  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.467  -2.070   1.780  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.653  -3.198   1.698  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.448  -4.194  -0.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.189   0.697   2.111  1.00  0.00           H  
HETATM   64  H   UNL     1       3.342   1.207  -1.938  1.00  0.00           H  
HETATM   65  H   UNL     1       4.086   2.420   0.761  1.00  0.00           H  
HETATM   66  H   UNL     1       5.175   2.336  -0.644  1.00  0.00           H  
HETATM   67  H   UNL     1       3.553   3.653  -1.980  1.00  0.00           H  
HETATM   68  H   UNL     1       2.464   3.737  -0.575  1.00  0.00           H  
HETATM   69  H   UNL     1       5.328   4.787  -0.610  1.00  0.00           H  
HETATM   70  H   UNL     1       3.844   6.088  -2.111  1.00  0.00           H  
HETATM   71  H   UNL     1       2.664   6.265  -0.791  1.00  0.00           H  
HETATM   72  H   UNL     1       5.545   7.273  -0.749  1.00  0.00           H  
HETATM   73  H   UNL     1       4.096   8.281  -0.980  1.00  0.00           H  
HETATM   74  H   UNL     1       4.860   8.346   1.378  1.00  0.00           H  
HETATM   75  H   UNL     1       3.257   7.583   1.247  1.00  0.00           H  
HETATM   76  H   UNL     1       5.922   6.106   1.427  1.00  0.00           H  
HETATM   77  H   UNL     1       4.741   6.282   2.748  1.00  0.00           H  
HETATM   78  H   UNL     1       3.040   5.098   1.386  1.00  0.00           H  
HETATM   79  H   UNL     1       4.489   4.090   1.616  1.00  0.00           H  
HETATM   80  H   UNL     1       6.037  -1.567   0.773  1.00  0.00           H  
HETATM   81  H   UNL     1       5.465  -2.408  -0.687  1.00  0.00           H  
HETATM   82  H   UNL     1       7.411  -1.536  -1.953  1.00  0.00           H  
HETATM   83  H   UNL     1       7.983  -0.695  -0.493  1.00  0.00           H  
HETATM   84  H   UNL     1       7.513  -3.956  -2.113  1.00  0.00           H  
HETATM   85  H   UNL     1       8.643  -6.014  -1.372  1.00  0.00           H  
HETATM   86  H   UNL     1      10.020  -3.996   2.127  1.00  0.00           H  
HETATM   87  H   UNL     1       8.890  -1.938   1.383  1.00  0.00           H  
CONECT    1    2    2   20   47                                       
CONECT    2    1    1   23   48                                       
CONECT    3    4    4    6   49                                       
CONECT    4   19    3    3                                            
CONECT    5   19   18    6    6                                       
CONECT    6    5    5    3    8                                       
CONECT    7    8    9   50                                            
CONECT    8    6   17   17    7                                       
CONECT    9   10    7   51   52                                       
CONECT   10   11   11   24    9                                       
CONECT   11   13   10   10   53                                       
CONECT   12   27   25   54                                            
CONECT   13   14   14   11   55                                       
CONECT   14   25   13   13   15                                       
CONECT   15   14   24   24   56                                       
CONECT   16   38   36   57                                            
CONECT   17    8    8                                                 
CONECT   18    5   58   59                                            
CONECT   19   20    4    5                                            
CONECT   20    1   19   21   21                                       
CONECT   21   20   20   22   60                                       
CONECT   22   23   23   21   61                                       
CONECT   23    2   22   22   62                                       
CONECT   24   15   15   10   63                                       
CONECT   25   26   26   12   14                                       
CONECT   26   25   25                                                 
CONECT   27   36   28   12   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   35   31   29   69                                       
CONECT   31   32   30   70   71                                       
CONECT   32   33   31   72   73                                       
CONECT   33   34   32   74   75                                       
CONECT   34   33   35   76   77                                       
CONECT   35   34   30   78   79                                       
CONECT   36   16   37   37   27                                       
CONECT   37   36   36                                                 
CONECT   38   39   16   80   81                                       
CONECT   39   40   38   82   83                                       
CONECT   40   46   39   41   41                                       
CONECT   41   40   40   42   84                                       
CONECT   42   43   43   41   85                                       
CONECT   43   45   44   42   42                                       
CONECT   44   43                                                      
CONECT   45   46   46   43   86                                       
CONECT   46   45   45   40   87                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
