COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.103   0.199   0.755  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.207   0.970   0.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.119   0.400  -0.193  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.556  -0.730  -0.704  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.282  -0.868  -0.121  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.481   0.945  -0.537  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.710  -1.276  -3.118  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.385   1.992   1.355  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.378  -1.883  -0.366  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.181  -1.659  -1.714  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.458  -0.686   0.669  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.077  -1.814   0.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.185  -2.868   0.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.024  -2.353   0.884  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.215  -1.027   1.097  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.211  -0.085   1.708  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.424  -4.299  -0.104  1.00  0.00           C  
HETATM   18  C   UNL     1       0.221  -3.133   1.217  1.00  0.00           C  
HETATM   19  C   UNL     1       1.172  -3.111   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1       2.418  -3.891   0.351  1.00  0.00           C  
HETATM   21  O   UNL     1       2.534  -4.411   1.435  1.00  0.00           O  
HETATM   22  O   UNL     1       3.399  -4.007  -0.558  1.00  0.00           O  
HETATM   23  C   UNL     1       3.828   0.369  -1.330  1.00  0.00           C  
HETATM   24  N   UNL     1       1.942  -0.110   0.328  1.00  0.00           N  
HETATM   25  C   UNL     1       0.723   0.418   0.638  1.00  0.00           C  
HETATM   26  C   UNL     1       0.498   1.466  -0.180  1.00  0.00           C  
HETATM   27  C   UNL     1       1.618   1.591  -1.025  1.00  0.00           C  
HETATM   28  C   UNL     1       2.488   0.617  -0.688  1.00  0.00           C  
HETATM   29  C   UNL     1       1.813   2.628  -2.101  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.728   2.344  -0.188  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.518   3.521   0.767  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.743   4.398   0.759  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.786   5.499   1.526  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.687   4.112   0.061  1.00  0.00           O  
HETATM   35  N   UNL     1       5.084   0.866   0.724  1.00  0.00           N  
HETATM   36  C   UNL     1       4.882   1.264  -0.675  1.00  0.00           C  
HETATM   37  C   UNL     1       6.217   1.082  -1.359  1.00  0.00           C  
HETATM   38  C   UNL     1       7.073   0.628  -0.428  1.00  0.00           C  
HETATM   39  C   UNL     1       6.372   0.500   0.862  1.00  0.00           C  
HETATM   40  C   UNL     1       6.529   1.357  -2.807  1.00  0.00           C  
HETATM   41  C   UNL     1       8.498   0.314  -0.659  1.00  0.00           C  
HETATM   42  C   UNL     1       9.253  -0.120   0.341  1.00  0.00           C  
HETATM   43  O   UNL     1       6.879   0.113   1.897  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.317   0.361   1.300  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.659   1.861   0.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.526   1.162  -1.605  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.242   0.208  -0.283  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.009  -0.250  -3.334  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.625  -1.357  -3.173  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.162  -1.947  -3.848  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.667  -2.730  -0.971  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.882  -2.684  -1.497  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.266  -1.577  -1.659  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.845   0.203   0.704  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.733   0.759   2.160  1.00  0.00           H  
HETATM   56  H   UNL     1       0.362  -0.610   2.473  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.104  -4.440  -1.137  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.854  -4.962   0.546  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.485  -4.529  -0.018  1.00  0.00           H  
HETATM   60  H   UNL     1       0.713  -2.683   2.079  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.046  -4.164   1.449  1.00  0.00           H  
HETATM   62  H   UNL     1       0.681  -3.561  -0.844  1.00  0.00           H  
HETATM   63  H   UNL     1       1.440  -2.080  -0.213  1.00  0.00           H  
HETATM   64  H   UNL     1       4.179  -4.517  -0.299  1.00  0.00           H  
HETATM   65  H   UNL     1       4.107  -0.677  -1.198  1.00  0.00           H  
HETATM   66  H   UNL     1       3.769   0.597  -2.395  1.00  0.00           H  
HETATM   67  H   UNL     1       2.354  -0.873   0.762  1.00  0.00           H  
HETATM   68  H   UNL     1       1.422   2.249  -3.046  1.00  0.00           H  
HETATM   69  H   UNL     1       1.281   3.539  -1.827  1.00  0.00           H  
HETATM   70  H   UNL     1       2.876   2.845  -2.208  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.899   2.720  -1.196  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.592   1.764   0.135  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.347   3.145   1.775  1.00  0.00           H  
HETATM   74  H   UNL     1       0.346   4.101   0.444  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.593   6.030   1.488  1.00  0.00           H  
HETATM   76  H   UNL     1       4.412   0.870   1.423  1.00  0.00           H  
HETATM   77  H   UNL     1       4.571   2.308  -0.727  1.00  0.00           H  
HETATM   78  H   UNL     1       6.857   2.391  -2.918  1.00  0.00           H  
HETATM   79  H   UNL     1       7.320   0.687  -3.142  1.00  0.00           H  
HETATM   80  H   UNL     1       5.635   1.194  -3.408  1.00  0.00           H  
HETATM   81  H   UNL     1       8.926   0.440  -1.643  1.00  0.00           H  
HETATM   82  H   UNL     1       8.825  -0.246   1.325  1.00  0.00           H  
HETATM   83  H   UNL     1      10.294  -0.350   0.172  1.00  0.00           H  
CONECT    1    5    2   44                                            
CONECT    2    1    3    8    8                                       
CONECT    3    4    4    6    2                                       
CONECT    4   10    5    3    3                                       
CONECT    5    9    9    4    1                                       
CONECT    6    3   45   46   47                                       
CONECT    7   10   48   49   50                                       
CONECT    8    2    2                                                 
CONECT    9   12    5    5   51                                       
CONECT   10    7    4   52   53                                       
CONECT   11   15   12   54                                            
CONECT   12   11    9   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   15   15   18   13                                       
CONECT   15   16   11   14   14                                       
CONECT   16   25   15   55   56                                       
CONECT   17   13   57   58   59                                       
CONECT   18   14   19   60   61                                       
CONECT   19   18   20   62   63                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   64                                                 
CONECT   23   36   28   65   66                                       
CONECT   24   28   25   67                                            
CONECT   25   26   26   24   16                                       
CONECT   26   27   30   25   25                                       
CONECT   27   29   28   28   26                                       
CONECT   28   23   27   27   24                                       
CONECT   29   27   68   69   70                                       
CONECT   30   26   31   71   72                                       
CONECT   31   32   30   73   74                                       
CONECT   32   34   34   31   33                                       
CONECT   33   32   75                                                 
CONECT   34   32   32                                                 
CONECT   35   39   36   76                                            
CONECT   36   37   35   23   77                                       
CONECT   37   38   38   40   36                                       
CONECT   38   41   39   37   37                                       
CONECT   39   43   43   38   35                                       
CONECT   40   37   78   79   80                                       
CONECT   41   42   42   38   81                                       
CONECT   42   41   41   82   83                                       
CONECT   43   39   39                                                 
CONECT   44    1                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
