COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.290   2.006   0.073  1.00  0.00           C  
HETATM    2  C   UNL     1       8.857   0.898  -0.085  1.00  0.00           C  
HETATM    3  C   UNL     1       6.461   0.664  -0.187  1.00  0.00           C  
HETATM    4  C   UNL     1      10.221  -1.088  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1      11.434  -1.714   0.094  1.00  0.00           C  
HETATM    6  C   UNL     1      11.499  -3.096   0.138  1.00  0.00           C  
HETATM    7  C   UNL     1      10.347  -3.850  -0.036  1.00  0.00           C  
HETATM    8  C   UNL     1      11.699  -5.912   0.240  1.00  0.00           C  
HETATM    9  C   UNL     1       8.382   4.976   0.705  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.235  -0.448  -0.814  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.408   0.912  -0.550  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.308   1.721  -0.359  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.023   1.181  -0.430  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.851  -0.179  -0.694  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.950  -0.988  -0.885  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.843   2.051  -0.226  1.00  0.00           C  
HETATM   17  C   UNL     1       7.415   2.834   0.261  1.00  0.00           C  
HETATM   18  C   UNL     1       8.715   2.272   0.180  1.00  0.00           C  
HETATM   19  C   UNL     1       7.739   0.105  -0.267  1.00  0.00           C  
HETATM   20  C   UNL     1       9.060  -1.839  -0.303  1.00  0.00           C  
HETATM   21  C   UNL     1       9.128  -3.221  -0.257  1.00  0.00           C  
HETATM   22  C   UNL     1       9.199  -6.045  -0.174  1.00  0.00           C  
HETATM   23  C   UNL     1       7.274   4.205   0.528  1.00  0.00           C  
HETATM   24  C   UNL     1       9.660   4.424   0.624  1.00  0.00           C  
HETATM   25  C   UNL     1       9.835   3.099   0.367  1.00  0.00           C  
HETATM   26  C   UNL     1       3.835   1.686  -0.058  1.00  0.00           C  
HETATM   27  C   UNL     1       2.559   2.520   0.071  1.00  0.00           C  
HETATM   28  C   UNL     1       1.339   1.621  -0.140  1.00  0.00           C  
HETATM   29  C   UNL     1       0.062   2.455  -0.011  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.158   1.556  -0.222  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.434   2.390  -0.093  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.416  -1.319  -1.013  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.204  -1.764   0.145  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.904  -1.239   1.482  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.905  -1.511   2.586  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.355  -2.972   2.450  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.071  -3.157   1.114  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.227  -2.668  -0.026  1.00  0.00           C  
HETATM   39  N   UNL     1       5.003   2.546   0.144  1.00  0.00           N  
HETATM   40  N   UNL     1      10.136   0.317  -0.166  1.00  0.00           N  
HETATM   41  N   UNL     1      10.414  -5.247   0.009  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.602   1.529  -0.294  1.00  0.00           N  
HETATM   43  N   UNL     1      -9.770   1.484  -0.475  1.00  0.00           N1+
HETATM   44  O   UNL     1      -4.993   3.235   0.003  1.00  0.00           O  
HETATM   45  O   UNL     1       7.872  -1.223  -0.526  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.733  -1.666  -2.134  1.00  0.00           O  
HETATM   47  O   UNL     1     -11.472  -3.139  -1.258  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.889  -0.609   1.696  1.00  0.00           O  
HETATM   49  O   UNL     1      -9.920   2.685  -0.332  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.743   0.755  -0.556  1.00  0.00           O1-
HETATM   51  H   UNL     1       5.595   0.035  -0.331  1.00  0.00           H  
HETATM   52  H   UNL     1      12.330  -1.126   0.230  1.00  0.00           H  
HETATM   53  H   UNL     1      12.446  -3.588   0.307  1.00  0.00           H  
HETATM   54  H   UNL     1      12.187  -6.102  -0.716  1.00  0.00           H  
HETATM   55  H   UNL     1      12.335  -5.272   0.852  1.00  0.00           H  
HETATM   56  H   UNL     1      11.531  -6.857   0.757  1.00  0.00           H  
HETATM   57  H   UNL     1       8.271   6.030   0.910  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.442   2.773  -0.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.857  -0.596  -0.749  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.817  -2.040  -1.089  1.00  0.00           H  
HETATM   61  H   UNL     1       8.233  -3.811  -0.394  1.00  0.00           H  
HETATM   62  H   UNL     1       8.729  -6.218   0.794  1.00  0.00           H  
HETATM   63  H   UNL     1       8.507  -5.509  -0.823  1.00  0.00           H  
HETATM   64  H   UNL     1       9.457  -7.001  -0.628  1.00  0.00           H  
HETATM   65  H   UNL     1       6.290   4.647   0.594  1.00  0.00           H  
HETATM   66  H   UNL     1      10.523   5.056   0.769  1.00  0.00           H  
HETATM   67  H   UNL     1      10.831   2.685   0.307  1.00  0.00           H  
HETATM   68  H   UNL     1       3.831   0.896   0.694  1.00  0.00           H  
HETATM   69  H   UNL     1       3.879   1.241  -1.052  1.00  0.00           H  
HETATM   70  H   UNL     1       2.514   2.965   1.065  1.00  0.00           H  
HETATM   71  H   UNL     1       2.563   3.309  -0.681  1.00  0.00           H  
HETATM   72  H   UNL     1       1.383   1.176  -1.134  1.00  0.00           H  
HETATM   73  H   UNL     1       1.334   0.832   0.612  1.00  0.00           H  
HETATM   74  H   UNL     1       0.018   2.900   0.983  1.00  0.00           H  
HETATM   75  H   UNL     1       0.066   3.244  -0.762  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.114   1.111  -1.216  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.162   0.767   0.530  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.478   2.835   0.901  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.430   3.179  -0.844  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.435  -1.357   3.557  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.763  -0.848   2.480  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.484  -3.626   2.490  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.034  -3.221   3.266  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.294  -4.214   0.970  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.005  -2.594   1.128  1.00  0.00           H  
HETATM   86  H   UNL     1       4.883   3.491   0.327  1.00  0.00           H  
HETATM   87  H   UNL     1      10.932   0.865  -0.248  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.483   0.584  -0.477  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.968  -2.748  -1.985  1.00  0.00           H  
CONECT    1   39    3    3   17                                       
CONECT    2   19   19   18   40                                       
CONECT    3    1    1   19   51                                       
CONECT    4   20   40    5    5                                       
CONECT    5    4    4    6   52                                       
CONECT    6    7    7    5   53                                       
CONECT    7   21   41    6    6                                       
CONECT    8   41   54   55   56                                       
CONECT    9   23   24   24   57                                       
CONECT   10   32   11   11   15                                       
CONECT   11   43   10   10   12                                       
CONECT   12   11   13   13   58                                       
CONECT   13   12   12   14   16                                       
CONECT   14   15   15   13   59                                       
CONECT   15   10   14   14   60                                       
CONECT   16   13   44   44   42                                       
CONECT   17    1   23   23   18                                       
CONECT   18   17    2   25   25                                       
CONECT   19    3   45    2    2                                       
CONECT   20   45   21   21    4                                       
CONECT   21   20   20    7   61                                       
CONECT   22   41   62   63   64                                       
CONECT   23   17   17    9   65                                       
CONECT   24    9    9   25   66                                       
CONECT   25   18   18   24   67                                       
CONECT   26   27   39   68   69                                       
CONECT   27   28   26   70   71                                       
CONECT   28   29   27   72   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   31   29   76   77                                       
CONECT   31   42   30   78   79                                       
CONECT   32   46   46   33   10                                       
CONECT   33   38   38   32   34                                       
CONECT   34   33   35   48   48                                       
CONECT   35   36   34   80   81                                       
CONECT   36   37   35   82   83                                       
CONECT   37   38   36   84   85                                       
CONECT   38   47   37   33   33                                       
CONECT   39   26    1   86                                            
CONECT   40    2    4   87                                            
CONECT   41   22    8    7                                            
CONECT   42   16   31   88                                            
CONECT   43   49   49   50   11                                       
CONECT   44   16   16                                                 
CONECT   45   19   20                                                 
CONECT   46   32   32                                                 
CONECT   47   38   89                                                 
CONECT   48   34   34                                                 
CONECT   49   43   43                                                 
CONECT   50   43                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   42                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
