COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.732   0.277  -0.082  1.00  0.00           O  
HETATM    2  C   UNL     1       3.076  -0.735  -0.661  1.00  0.00           C  
HETATM    3  N   UNL     1       4.384  -1.049  -0.750  1.00  0.00           N  
HETATM    4  C   UNL     1       5.350  -0.180  -0.226  1.00  0.00           C  
HETATM    5  C   UNL     1       6.426  -0.688   0.489  1.00  0.00           C  
HETATM    6 CL   UNL     1       6.576  -2.400   0.734  1.00  0.00          Cl  
HETATM    7  C   UNL     1       7.382   0.173   1.007  1.00  0.00           C  
HETATM    8  O   UNL     1       8.437  -0.324   1.706  1.00  0.00           O  
HETATM    9  C   UNL     1       9.383   0.621   2.211  1.00  0.00           C  
HETATM   10  C   UNL     1       7.263   1.541   0.811  1.00  0.00           C  
HETATM   11  C   UNL     1       6.188   2.049   0.097  1.00  0.00           C  
HETATM   12  O   UNL     1       6.072   3.390  -0.094  1.00  0.00           O  
HETATM   13  C   UNL     1       7.094   4.216   0.468  1.00  0.00           C  
HETATM   14  C   UNL     1       5.234   1.189  -0.427  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.889   1.825  -1.321  1.00  0.00          Cl  
HETATM   16  N   UNL     1       2.150  -1.546  -1.211  1.00  0.00           N  
HETATM   17  C   UNL     1       2.555  -2.817  -1.815  1.00  0.00           C  
HETATM   18  C   UNL     1       0.809  -1.175  -1.203  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.040  -1.621  -0.197  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.373  -1.222  -0.234  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.784  -0.432  -1.225  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.947  -0.031  -2.160  1.00  0.00           C  
HETATM   23  N   UNL     1       0.322  -0.383  -2.156  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.261  -1.640   0.746  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.623  -1.335   0.633  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.219  -1.270  -0.619  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.562  -0.970  -0.731  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.317  -0.734   0.410  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.722  -0.799   1.663  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.380  -1.104   1.775  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.679  -0.429   0.298  1.00  0.00           N  
HETATM   32  C   UNL     1      -8.282  -0.217   1.621  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.783   0.034   1.459  1.00  0.00           C  
HETATM   34  N   UNL     1      -9.991   1.205   0.595  1.00  0.00           N  
HETATM   35  C   UNL     1     -11.420   1.525   0.477  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.584   2.879  -0.215  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.388   0.993  -0.728  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.887   0.741  -0.566  1.00  0.00           C  
HETATM   39  H   UNL     1       4.656  -1.877  -1.176  1.00  0.00           H  
HETATM   40  H   UNL     1       8.881   1.311   2.889  1.00  0.00           H  
HETATM   41  H   UNL     1      10.172   0.093   2.748  1.00  0.00           H  
HETATM   42  H   UNL     1       9.818   1.178   1.381  1.00  0.00           H  
HETATM   43  H   UNL     1       8.007   2.211   1.215  1.00  0.00           H  
HETATM   44  H   UNL     1       6.881   5.261   0.243  1.00  0.00           H  
HETATM   45  H   UNL     1       7.121   4.076   1.548  1.00  0.00           H  
HETATM   46  H   UNL     1       8.059   3.942   0.041  1.00  0.00           H  
HETATM   47  H   UNL     1       2.531  -3.602  -1.060  1.00  0.00           H  
HETATM   48  H   UNL     1       1.870  -3.069  -2.625  1.00  0.00           H  
HETATM   49  H   UNL     1       3.566  -2.725  -2.211  1.00  0.00           H  
HETATM   50  H   UNL     1       0.325  -2.261   0.593  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.311   0.609  -2.950  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.938  -2.143   1.510  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.631  -1.454  -1.507  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.025  -0.919  -1.705  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.309  -0.615   2.551  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.918  -1.159   2.749  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.126  -1.102   2.238  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.818   0.646   2.098  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.252  -0.840   1.007  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.228   0.220   2.437  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.917   0.753  -0.111  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.866   1.568   1.470  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.644   3.116  -0.303  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.086   3.650   0.373  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.138   2.836  -1.209  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.852   0.130  -1.205  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.544   1.878  -1.345  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.418   1.615  -0.114  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.442   0.555  -1.544  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    4    2   39                                            
CONECT    4   14   14    5    3                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5                                                      
CONECT    7   10    8    5    5                                       
CONECT    8    9    7                                                 
CONECT    9    8   40   41   42                                       
CONECT   10   11   11    7   43                                       
CONECT   11   12   10   10   14                                       
CONECT   12   13   11                                                 
CONECT   13   12   44   45   46                                       
CONECT   14   11   15    4    4                                       
CONECT   15   14                                                      
CONECT   16    2   17   18                                            
CONECT   17   16   47   48   49                                       
CONECT   18   16   19   19   23                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   23   23   21   51                                       
CONECT   23   18   22   22                                            
CONECT   24   20   25   52                                            
CONECT   25   26   24   30   30                                       
CONECT   26   27   27   25   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   27   31   29   29                                       
CONECT   29   28   28   30   55                                       
CONECT   30   25   25   29   56                                       
CONECT   31   38   28   32                                            
CONECT   32   31   33   57   58                                       
CONECT   33   34   32   59   60                                       
CONECT   34   37   35   33                                            
CONECT   35   34   36   61   62                                       
CONECT   36   35   63   64   65                                       
CONECT   37   38   34   66   67                                       
CONECT   38   37   31   68   69                                       
CONECT   39    3                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
