COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.498  -0.181  -0.811  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.853   0.011  -0.611  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.752  -0.974  -0.975  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.296  -2.150  -1.540  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.942  -2.342  -1.741  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.043  -1.358  -1.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.407  -0.757   1.485  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.868   0.566   0.937  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.519   0.896  -0.420  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.398   0.928  -1.350  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.264   0.668  -0.691  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.436   0.448   0.620  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.458   0.166   1.503  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.050  -0.068   1.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.284   1.256   1.018  1.00  0.00           C  
HETATM   16  C   UNL     1       1.104   1.043   0.410  1.00  0.00           C  
HETATM   17  C   UNL     1       1.870   2.367   0.410  1.00  0.00           C  
HETATM   18  C   UNL     1       3.292   2.133  -0.104  1.00  0.00           C  
HETATM   19  C   UNL     1       4.135   1.064   0.594  1.00  0.00           C  
HETATM   20  C   UNL     1       5.127   0.270  -0.259  1.00  0.00           C  
HETATM   21  C   UNL     1       5.773  -0.822   0.596  1.00  0.00           C  
HETATM   22  C   UNL     1       6.849  -1.540  -0.222  1.00  0.00           C  
HETATM   23  C   UNL     1       8.006  -0.702  -0.768  1.00  0.00           C  
HETATM   24  C   UNL     1       9.383  -1.363  -0.864  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.176   0.633  -1.231  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.711   0.101   2.687  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.350  -1.062   1.947  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.053  -2.419   1.864  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.149   1.728   2.360  1.00  0.00           O  
HETATM   30  C   UNL     1       0.958   0.537  -1.027  1.00  0.00           C  
HETATM   31  C   UNL     1       3.496   2.334  -1.607  1.00  0.00           C  
HETATM   32  C   UNL     1       3.096   3.760  -1.990  1.00  0.00           C  
HETATM   33  O   UNL     1       4.377   2.462   0.766  1.00  0.00           O  
HETATM   34  C   UNL     1       7.147  -2.982   0.193  1.00  0.00           C  
HETATM   35  C   UNL     1       5.871  -3.819   0.081  1.00  0.00           C  
HETATM   36  O   UNL     1       6.965  -1.207  -1.607  1.00  0.00           O  
HETATM   37  H   UNL     1      -8.208   0.931  -0.170  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.810  -0.824  -0.818  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.999  -2.920  -1.824  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.587  -3.262  -2.181  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.985  -1.508  -1.531  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.184  -1.559   0.782  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.936  -0.972   2.444  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.486  -0.681   1.620  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.039   1.373   1.650  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.014   1.866  -0.381  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.077  -0.473   0.007  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.830   1.992   0.428  1.00  0.00           H  
HETATM   49  H   UNL     1       1.650   0.307   1.001  1.00  0.00           H  
HETATM   50  H   UNL     1       1.362   3.080  -0.239  1.00  0.00           H  
HETATM   51  H   UNL     1       1.911   2.763   1.424  1.00  0.00           H  
HETATM   52  H   UNL     1       3.682   0.521   1.422  1.00  0.00           H  
HETATM   53  H   UNL     1       4.600  -0.188  -1.096  1.00  0.00           H  
HETATM   54  H   UNL     1       5.899   0.939  -0.637  1.00  0.00           H  
HETATM   55  H   UNL     1       6.227  -0.372   1.478  1.00  0.00           H  
HETATM   56  H   UNL     1       5.013  -1.540   0.905  1.00  0.00           H  
HETATM   57  H   UNL     1       8.009   0.366  -0.548  1.00  0.00           H  
HETATM   58  H   UNL     1       9.324  -2.231  -1.521  1.00  0.00           H  
HETATM   59  H   UNL     1      10.101  -0.650  -1.268  1.00  0.00           H  
HETATM   60  H   UNL     1       9.703  -1.680   0.129  1.00  0.00           H  
HETATM   61  H   UNL     1       0.691  -1.173   1.643  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.392  -0.693   2.972  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.112  -2.294   2.087  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.938  -2.827   0.860  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.608  -3.103   2.588  1.00  0.00           H  
HETATM   66  H   UNL     1       0.329   1.123   2.944  1.00  0.00           H  
HETATM   67  H   UNL     1       1.943   0.299  -1.429  1.00  0.00           H  
HETATM   68  H   UNL     1       0.336  -0.358  -1.036  1.00  0.00           H  
HETATM   69  H   UNL     1       0.493   1.310  -1.639  1.00  0.00           H  
HETATM   70  H   UNL     1       4.544   2.171  -1.856  1.00  0.00           H  
HETATM   71  H   UNL     1       2.878   1.623  -2.156  1.00  0.00           H  
HETATM   72  H   UNL     1       3.342   3.937  -3.037  1.00  0.00           H  
HETATM   73  H   UNL     1       2.024   3.889  -1.841  1.00  0.00           H  
HETATM   74  H   UNL     1       3.638   4.470  -1.365  1.00  0.00           H  
HETATM   75  H   UNL     1       7.913  -3.398  -0.461  1.00  0.00           H  
HETATM   76  H   UNL     1       7.502  -2.998   1.224  1.00  0.00           H  
HETATM   77  H   UNL     1       6.074  -4.837   0.413  1.00  0.00           H  
HETATM   78  H   UNL     1       5.093  -3.381   0.706  1.00  0.00           H  
HETATM   79  H   UNL     1       5.537  -3.835  -0.957  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    1    5    5   41                                       
CONECT    7    8   42   43   44                                       
CONECT    8    7    9   12   45                                       
CONECT    9    1    8   10   46                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   25   25                                       
CONECT   12    8   11   13                                            
CONECT   13   12   14   26   26                                       
CONECT   14   13   15   27   47                                       
CONECT   15   14   16   29   48                                       
CONECT   16   15   17   30   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   31   33                                       
CONECT   19   18   20   33   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   34   36                                       
CONECT   23   22   24   36   57                                       
CONECT   24   23   58   59   60                                       
CONECT   25   11   11                                                 
CONECT   26   13   13                                                 
CONECT   27   14   28   61   62                                       
CONECT   28   27   63   64   65                                       
CONECT   29   15   66                                                 
CONECT   30   16   67   68   69                                       
CONECT   31   18   32   70   71                                       
CONECT   32   31   72   73   74                                       
CONECT   33   18   19                                                 
CONECT   34   22   35   75   76                                       
CONECT   35   34   77   78   79                                       
CONECT   36   22   23                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
