COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.773   0.364   1.599  1.00  0.00           C  
HETATM    2  C   UNL     1       7.624  -0.304   0.445  1.00  0.00           C  
HETATM    3  C   UNL     1       8.732  -0.711  -0.382  1.00  0.00           C  
HETATM    4  C   UNL     1      10.006  -0.459  -0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      10.312   0.272   1.176  1.00  0.00           C  
HETATM    6  C   UNL     1       9.150   0.701   2.048  1.00  0.00           C  
HETATM    7  N   UNL     1      11.537   0.537   1.512  1.00  0.00           N  
HETATM    8  N   UNL     1       9.380   1.338   3.143  1.00  0.00           N1+
HETATM    9  C   UNL     1      11.751   1.234   2.713  1.00  0.00           C  
HETATM   10  C   UNL     1      10.690   1.637   3.532  1.00  0.00           C  
HETATM   11  C   UNL     1      13.056   1.537   3.111  1.00  0.00           C  
HETATM   12  C   UNL     1      13.289   2.230   4.302  1.00  0.00           C  
HETATM   13  C   UNL     1      12.218   2.624   5.106  1.00  0.00           C  
HETATM   14  C   UNL     1      10.911   2.329   4.724  1.00  0.00           C  
HETATM   15  C   UNL     1       9.801   2.772   5.623  1.00  0.00           C  
HETATM   16  C   UNL     1       6.538   0.702   2.316  1.00  0.00           C  
HETATM   17  O   UNL     1       6.059  -0.070   3.145  1.00  0.00           O  
HETATM   18  N   UNL     1       6.021   1.930   1.947  1.00  0.00           N  
HETATM   19  C   UNL     1       4.809   2.481   2.512  1.00  0.00           C  
HETATM   20  C   UNL     1       5.132   3.309   3.742  1.00  0.00           C  
HETATM   21  N   UNL     1       6.081   4.390   3.383  1.00  0.00           N1+
HETATM   22  C   UNL     1       6.425   5.304   4.506  1.00  0.00           C  
HETATM   23  N   UNL     1      10.609   5.177   1.580  1.00  0.00           N  
HETATM   24  C   UNL     1      10.633   5.482   0.252  1.00  0.00           C  
HETATM   25  O   UNL     1      10.862   6.568  -0.268  1.00  0.00           O  
HETATM   26  C   UNL     1      10.340   4.299  -0.577  1.00  0.00           C  
HETATM   27  C   UNL     1      11.396   3.561  -0.950  1.00  0.00           C  
HETATM   28  C   UNL     1      11.285   2.374  -1.760  1.00  0.00           C  
HETATM   29  C   UNL     1      10.119   1.903  -2.211  1.00  0.00           C  
HETATM   30  C   UNL     1       8.874   2.624  -1.873  1.00  0.00           C  
HETATM   31  N   UNL     1       7.721   2.200  -2.293  1.00  0.00           N  
HETATM   32  C   UNL     1       6.581   2.937  -1.933  1.00  0.00           C  
HETATM   33  C   UNL     1       6.666   4.093  -1.148  1.00  0.00           C  
HETATM   34  N   UNL     1       7.922   4.526  -0.710  1.00  0.00           N1+
HETATM   35  C   UNL     1       8.986   3.873  -1.023  1.00  0.00           C  
HETATM   36  C   UNL     1       5.528   4.820  -0.795  1.00  0.00           C  
HETATM   37  C   UNL     1       4.279   4.384  -1.235  1.00  0.00           C  
HETATM   38  C   UNL     1       4.175   3.233  -2.017  1.00  0.00           C  
HETATM   39  C   UNL     1       5.321   2.513  -2.365  1.00  0.00           C  
HETATM   40  C   UNL     1       5.584   6.060   0.039  1.00  0.00           C  
HETATM   41  C   UNL     1      10.876   6.198   2.618  1.00  0.00           C  
HETATM   42  C   UNL     1       9.584   6.875   3.033  1.00  0.00           C  
HETATM   43  N   UNL     1       8.620   5.856   3.532  1.00  0.00           N1+
HETATM   44  C   UNL     1       7.338   6.415   4.025  1.00  0.00           C  
HETATM   45  H   UNL     1       6.639  -0.575   0.074  1.00  0.00           H  
HETATM   46  H   UNL     1       8.494  -1.246  -1.295  1.00  0.00           H  
HETATM   47  H   UNL     1      10.823  -0.774  -0.710  1.00  0.00           H  
HETATM   48  H   UNL     1       8.621   1.641   3.754  1.00  0.00           H  
HETATM   49  H   UNL     1      13.901   1.238   2.497  1.00  0.00           H  
HETATM   50  H   UNL     1      14.306   2.461   4.603  1.00  0.00           H  
HETATM   51  H   UNL     1      12.417   3.162   6.030  1.00  0.00           H  
HETATM   52  H   UNL     1       9.617   3.845   5.496  1.00  0.00           H  
HETATM   53  H   UNL     1       8.874   2.229   5.402  1.00  0.00           H  
HETATM   54  H   UNL     1      10.043   2.579   6.674  1.00  0.00           H  
HETATM   55  H   UNL     1       6.517   2.473   1.246  1.00  0.00           H  
HETATM   56  H   UNL     1       4.126   1.659   2.753  1.00  0.00           H  
HETATM   57  H   UNL     1       4.332   3.108   1.752  1.00  0.00           H  
HETATM   58  H   UNL     1       5.621   2.705   4.511  1.00  0.00           H  
HETATM   59  H   UNL     1       4.245   3.792   4.163  1.00  0.00           H  
HETATM   60  H   UNL     1       6.948   3.973   3.013  1.00  0.00           H  
HETATM   61  H   UNL     1       5.688   4.945   2.608  1.00  0.00           H  
HETATM   62  H   UNL     1       6.882   4.692   5.291  1.00  0.00           H  
HETATM   63  H   UNL     1       5.478   5.711   4.871  1.00  0.00           H  
HETATM   64  H   UNL     1      10.406   4.238   1.860  1.00  0.00           H  
HETATM   65  H   UNL     1      12.406   3.830  -0.651  1.00  0.00           H  
HETATM   66  H   UNL     1      12.207   1.854  -2.000  1.00  0.00           H  
HETATM   67  H   UNL     1      10.060   1.008  -2.819  1.00  0.00           H  
HETATM   68  H   UNL     1       7.962   5.371  -0.139  1.00  0.00           H  
HETATM   69  H   UNL     1       3.378   4.933  -0.973  1.00  0.00           H  
HETATM   70  H   UNL     1       3.201   2.896  -2.358  1.00  0.00           H  
HETATM   71  H   UNL     1       5.222   1.619  -2.975  1.00  0.00           H  
HETATM   72  H   UNL     1       4.903   5.972   0.893  1.00  0.00           H  
HETATM   73  H   UNL     1       6.598   6.237   0.416  1.00  0.00           H  
HETATM   74  H   UNL     1       5.300   6.943  -0.546  1.00  0.00           H  
HETATM   75  H   UNL     1      11.596   6.922   2.224  1.00  0.00           H  
HETATM   76  H   UNL     1      11.331   5.698   3.479  1.00  0.00           H  
HETATM   77  H   UNL     1       9.103   7.370   2.185  1.00  0.00           H  
HETATM   78  H   UNL     1       9.732   7.594   3.844  1.00  0.00           H  
HETATM   79  H   UNL     1       8.429   5.179   2.779  1.00  0.00           H  
HETATM   80  H   UNL     1       9.068   5.313   4.286  1.00  0.00           H  
HETATM   81  H   UNL     1       7.594   7.090   4.848  1.00  0.00           H  
HETATM   82  H   UNL     1       6.902   6.993   3.205  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    1    1    3   45                                       
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5   47                                       
CONECT    5    4    6    7    7                                       
CONECT    6    1    5    8    8                                       
CONECT    7    5    5    9                                            
CONECT    8    6    6   10   48                                       
CONECT    9    7   10   10   11                                       
CONECT   10    8    9    9   14                                       
CONECT   11    9   12   12   49                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   14   14   51                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   52   53   54                                       
CONECT   16    1   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   55                                            
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   44   62   63                                       
CONECT   23   24   41   64                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   35                                       
CONECT   27   26   26   28   65                                       
CONECT   28   27   29   29   66                                       
CONECT   29   28   28   30   67                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   39                                       
CONECT   33   32   32   34   36                                       
CONECT   34   33   35   35   68                                       
CONECT   35   26   30   34   34                                       
CONECT   36   33   37   37   40                                       
CONECT   37   36   36   38   69                                       
CONECT   38   37   39   39   70                                       
CONECT   39   32   38   38   71                                       
CONECT   40   36   72   73   74                                       
CONECT   41   23   42   75   76                                       
CONECT   42   41   43   77   78                                       
CONECT   43   42   44   79   80                                       
CONECT   44   22   43   81   82                                       
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
