COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.823   3.659   2.183  1.00  0.00           O  
HETATM    2  C   UNL     1       8.356   3.111   1.238  1.00  0.00           C  
HETATM    3  C   UNL     1       7.945   1.819   0.676  1.00  0.00           C  
HETATM    4  C   UNL     1       6.924   0.918   1.017  1.00  0.00           C  
HETATM    5  O   UNL     1       6.092   1.191   2.053  1.00  0.00           O  
HETATM    6  O   UNL     1       9.404   3.606   0.556  1.00  0.00           O  
HETATM    7  C   UNL     1       9.763   2.674  -0.501  1.00  0.00           C  
HETATM    8  C   UNL     1       8.795   1.521  -0.396  1.00  0.00           C  
HETATM    9  C   UNL     1       8.636   0.359  -1.107  1.00  0.00           C  
HETATM   10  C   UNL     1       9.557   0.049  -2.259  1.00  0.00           C  
HETATM   11  C   UNL     1       7.624  -0.535  -0.764  1.00  0.00           C  
HETATM   12  O   UNL     1       7.470  -1.684  -1.469  1.00  0.00           O  
HETATM   13  C   UNL     1       8.192  -2.829  -1.010  1.00  0.00           C  
HETATM   14  C   UNL     1       6.770  -0.251   0.292  1.00  0.00           C  
HETATM   15  C   UNL     1       5.676  -1.221   0.654  1.00  0.00           C  
HETATM   16  C   UNL     1       4.425  -0.877  -0.112  1.00  0.00           C  
HETATM   17  C   UNL     1       3.297  -0.687   0.526  1.00  0.00           C  
HETATM   18  C   UNL     1       3.216  -0.949   2.008  1.00  0.00           C  
HETATM   19  C   UNL     1       2.079  -0.208  -0.222  1.00  0.00           C  
HETATM   20  N   UNL     1       1.261  -1.358  -0.612  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.049  -1.535  -0.321  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.400  -2.721  -0.868  1.00  0.00           C  
HETATM   23  N   UNL     1       0.697  -3.207  -1.460  1.00  0.00           N  
HETATM   24  N   UNL     1       1.662  -2.373  -1.295  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.760  -3.369  -0.821  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.661  -2.532  -0.093  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.986  -3.057   0.011  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.859  -2.083   0.806  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.274  -2.670   1.006  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.390  -3.267   2.299  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.209  -1.446   0.885  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.933  -1.246   2.101  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.248  -0.264   0.627  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.065  -0.866   0.056  1.00  0.00           O  
HETATM   35  N   UNL     1      -6.846   0.682  -0.318  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.705   1.706  -0.008  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.249   2.168   1.113  1.00  0.00           N  
HETATM   38  C   UNL     1      -9.062   3.202   1.088  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.379   3.828  -0.031  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.885   3.438  -1.201  1.00  0.00           C  
HETATM   41  N   UNL     1      -9.223   4.100  -2.368  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.011   2.338  -1.225  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.335   1.679  -2.197  1.00  0.00           N  
HETATM   44  C   UNL     1      -6.647   0.710  -1.667  1.00  0.00           C  
HETATM   45  H   UNL     1       5.300   1.686   1.801  1.00  0.00           H  
HETATM   46  H   UNL     1       9.665   3.155  -1.474  1.00  0.00           H  
HETATM   47  H   UNL     1      10.785   2.322  -0.358  1.00  0.00           H  
HETATM   48  H   UNL     1      10.420  -0.507  -1.894  1.00  0.00           H  
HETATM   49  H   UNL     1       9.024  -0.551  -2.998  1.00  0.00           H  
HETATM   50  H   UNL     1       9.890   0.979  -2.718  1.00  0.00           H  
HETATM   51  H   UNL     1       9.260  -2.616  -1.028  1.00  0.00           H  
HETATM   52  H   UNL     1       7.886  -3.067   0.009  1.00  0.00           H  
HETATM   53  H   UNL     1       7.979  -3.677  -1.660  1.00  0.00           H  
HETATM   54  H   UNL     1       5.989  -2.234   0.402  1.00  0.00           H  
HETATM   55  H   UNL     1       5.475  -1.159   1.724  1.00  0.00           H  
HETATM   56  H   UNL     1       4.458  -0.786  -1.188  1.00  0.00           H  
HETATM   57  H   UNL     1       3.551  -0.065   2.551  1.00  0.00           H  
HETATM   58  H   UNL     1       2.185  -1.175   2.281  1.00  0.00           H  
HETATM   59  H   UNL     1       3.853  -1.795   2.263  1.00  0.00           H  
HETATM   60  H   UNL     1       1.496   0.453   0.419  1.00  0.00           H  
HETATM   61  H   UNL     1       2.391   0.335  -1.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.686  -0.864   0.237  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.132  -3.508  -1.836  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.684  -4.338  -0.326  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.405  -3.189  -0.986  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.957  -4.019   0.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.400  -1.863   1.769  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.498  -3.400   0.228  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.259  -3.652   2.478  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.895  -1.571   0.047  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.552  -1.958   2.312  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.005   0.239   1.563  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.487   3.552   2.018  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.827   4.858  -2.338  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.855   3.806  -3.216  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.014   0.027  -2.214  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5   14   14                                       
CONECT    5    4   45                                                 
CONECT    6    7    2                                                 
CONECT    7    6    8   46   47                                       
CONECT    8    7    3    3    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   48   49   50                                       
CONECT   11    9    9   14   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   51   52   53                                       
CONECT   14    4    4   11   15                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   17   56                                       
CONECT   17   19   16   16   18                                       
CONECT   18   17   57   58   59                                       
CONECT   19   20   17   60   61                                       
CONECT   20   24   21   19                                            
CONECT   21   22   22   20   62                                       
CONECT   22   23   25   21   21                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   20                                            
CONECT   25   26   22   63   64                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   65   66                                       
CONECT   28   34   29   27   67                                       
CONECT   29   31   30   28   68                                       
CONECT   30   29   69                                                 
CONECT   31   32   33   29   70                                       
CONECT   32   31   71                                                 
CONECT   33   31   35   34   72                                       
CONECT   34   33   28                                                 
CONECT   35   33   36   44                                            
CONECT   36   37   35   42   42                                       
CONECT   37   38   38   36                                            
CONECT   38   37   37   39   73                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   42   41                                       
CONECT   41   40   74   75                                            
CONECT   42   36   36   40   43                                       
CONECT   43   42   44   44                                            
CONECT   44   35   43   43   76                                       
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   38                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
