COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.935   1.035   1.451  1.00  0.00           C  
HETATM    2  O   UNL     1       5.227   0.398   2.201  1.00  0.00           O  
HETATM    3  C   UNL     1       7.111   1.805   1.997  1.00  0.00           C  
HETATM    4  N   UNL     1       5.674   1.051   0.129  1.00  0.00           N  
HETATM    5  C   UNL     1       4.535   0.298  -0.402  1.00  0.00           C  
HETATM    6  C   UNL     1       3.262   0.804   0.227  1.00  0.00           C  
HETATM    7  O   UNL     1       3.304   1.422   1.269  1.00  0.00           O  
HETATM    8  C   UNL     1       4.709  -1.187  -0.077  1.00  0.00           C  
HETATM    9  C   UNL     1       5.915  -1.722  -0.805  1.00  0.00           C  
HETATM   10  C   UNL     1       7.160  -1.682  -0.204  1.00  0.00           C  
HETATM   11  C   UNL     1       5.776  -2.259  -2.072  1.00  0.00           C  
HETATM   12  C   UNL     1       8.266  -2.173  -0.872  1.00  0.00           C  
HETATM   13  C   UNL     1       6.883  -2.750  -2.740  1.00  0.00           C  
HETATM   14  C   UNL     1       8.128  -2.705  -2.141  1.00  0.00           C  
HETATM   15  N   UNL     1       2.077   0.568  -0.370  1.00  0.00           N  
HETATM   16  C   UNL     1       0.839   1.060   0.241  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.318   0.206  -0.211  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.127  -0.721  -0.969  1.00  0.00           O  
HETATM   19  C   UNL     1       0.600   2.510  -0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       1.711   3.397   0.379  1.00  0.00           C  
HETATM   21  C   UNL     1       1.476   4.825  -0.042  1.00  0.00           C  
HETATM   22  O   UNL     1       0.518   5.104  -0.724  1.00  0.00           O  
HETATM   23  O   UNL     1       2.330   5.787   0.341  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.564   0.474   0.227  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.688  -0.356  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.965   0.441  -0.126  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.938   1.589   0.264  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.795  -1.589   0.687  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.552  -2.462   0.505  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.658  -3.695   1.405  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.415  -4.568   1.223  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.517  -5.752   2.087  1.00  0.00           N1+
HETATM   33  C   UNL     1      -7.563  -0.301  -0.239  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.136  -0.123  -0.482  1.00  0.00           N  
HETATM   35  O   UNL     1      -7.695  -1.099  -1.417  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.377   0.652  -0.398  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.552   1.475  -1.676  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.843   0.510  -0.026  1.00  0.00           C  
HETATM   39 CL   UNL     1     -10.216  -0.611   0.308  1.00  0.00          Cl  
HETATM   40  H   UNL     1       7.164   1.669   3.077  1.00  0.00           H  
HETATM   41  H   UNL     1       8.029   1.438   1.539  1.00  0.00           H  
HETATM   42  H   UNL     1       6.989   2.864   1.768  1.00  0.00           H  
HETATM   43  H   UNL     1       6.241   1.561  -0.471  1.00  0.00           H  
HETATM   44  H   UNL     1       4.484   0.430  -1.483  1.00  0.00           H  
HETATM   45  H   UNL     1       4.849  -1.310   0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       3.822  -1.735  -0.393  1.00  0.00           H  
HETATM   47  H   UNL     1       7.268  -1.267   0.787  1.00  0.00           H  
HETATM   48  H   UNL     1       4.803  -2.294  -2.539  1.00  0.00           H  
HETATM   49  H   UNL     1       9.238  -2.141  -0.403  1.00  0.00           H  
HETATM   50  H   UNL     1       6.774  -3.169  -3.729  1.00  0.00           H  
HETATM   51  H   UNL     1       8.992  -3.088  -2.663  1.00  0.00           H  
HETATM   52  H   UNL     1       2.043   0.074  -1.204  1.00  0.00           H  
HETATM   53  H   UNL     1       0.925   1.010   1.326  1.00  0.00           H  
HETATM   54  H   UNL     1       0.603   2.573  -1.275  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.363   2.847   0.195  1.00  0.00           H  
HETATM   56  H   UNL     1       1.709   3.334   1.467  1.00  0.00           H  
HETATM   57  H   UNL     1       2.675   3.060  -0.002  1.00  0.00           H  
HETATM   58  H   UNL     1       2.138   6.688   0.047  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.716   1.216   0.832  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.526  -0.672  -1.243  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.868  -1.273   1.728  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.683  -2.160   0.418  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.479  -2.777  -0.536  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.664  -1.891   0.775  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.731  -3.379   2.446  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.546  -4.266   1.135  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.342  -4.883   0.182  1.00  0.00           H  
HETATM   68  H   UNL     1       0.473  -3.997   1.493  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.585  -5.460   3.051  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.339  -6.280   1.838  1.00  0.00           H  
HETATM   71  H   UNL     1       0.303  -6.327   1.967  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.158  -1.041  -0.794  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.846  -0.588  -2.224  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.330   1.321   0.461  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.475   2.051  -1.614  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.707   2.154  -1.790  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.599   0.806  -2.536  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.396  -0.948   0.622  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.710   1.183   0.820  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.059   1.090  -0.923  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   40   41   42                                       
CONECT    4    5   43    1                                            
CONECT    5    4    6    8   44                                       
CONECT    6    5    7    7   15                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   45   46                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   12   47                                       
CONECT   11    9   13   13   48                                       
CONECT   12   10   14   14   49                                       
CONECT   13   11   11   14   50                                       
CONECT   14   12   12   13   51                                       
CONECT   15   16   52    6                                            
CONECT   16   15   17   19   53                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   58                                                 
CONECT   24   25   59   17                                            
CONECT   25   24   26   28   60                                       
CONECT   26   25   27   27   34                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   61   62                                       
CONECT   29   28   30   63   64                                       
CONECT   30   29   31   65   66                                       
CONECT   31   30   32   67   68                                       
CONECT   32   31   69   70   71                                       
CONECT   33   35   36   78   38                                       
CONECT   34   36   72   26                                            
CONECT   35   33   73                                                 
CONECT   36   33   34   37   74                                       
CONECT   37   36   75   76   77                                       
CONECT   38   39   79   80   33                                       
CONECT   39   38                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   33                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
