COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.044  -0.850   1.089  1.00  0.00           C  
HETATM    2  C   UNL     1       4.021  -2.027   1.045  1.00  0.00           C  
HETATM    3  C   UNL     1       3.748  -2.861  -0.211  1.00  0.00           C  
HETATM    4  C   UNL     1       2.286  -3.319  -0.198  1.00  0.00           C  
HETATM    5  C   UNL     1       1.376  -2.091  -0.107  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.084  -2.543  -0.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.275  -1.605  -0.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.238  -0.446  -0.035  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.672  -0.974   0.041  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.650   0.203   0.013  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.085  -0.325   0.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.063   0.851   0.061  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.497   0.324   0.138  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.475   1.500   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.909   0.973   0.186  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.887   2.149   0.158  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.692  -2.736   0.065  1.00  0.00           O  
HETATM   18  O   UNL     1       5.362  -1.534   1.010  1.00  0.00           O  
HETATM   19  O   UNL     1       4.606  -4.003  -0.222  1.00  0.00           O  
HETATM   20  O   UNL     1       2.001  -4.038  -1.400  1.00  0.00           O  
HETATM   21  O   UNL     1       1.703  -1.344   1.067  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.953  -1.380  -0.064  1.00  0.00           O  
HETATM   23  C   UNL     1       2.560   1.236   0.011  1.00  0.00           C  
HETATM   24  C   UNL     1       2.660   1.940  -1.345  1.00  0.00           C  
HETATM   25  C   UNL     1       4.130   2.248  -1.645  1.00  0.00           C  
HETATM   26  C   UNL     1       4.706   3.095  -0.506  1.00  0.00           C  
HETATM   27  C   UNL     1       4.527   2.346   0.817  1.00  0.00           C  
HETATM   28  C   UNL     1       5.045   3.211   1.968  1.00  0.00           C  
HETATM   29  O   UNL     1       3.260  -0.008  -0.046  1.00  0.00           O  
HETATM   30  O   UNL     1       2.132   1.090  -2.365  1.00  0.00           O  
HETATM   31  O   UNL     1       4.226   2.970  -2.874  1.00  0.00           O  
HETATM   32  O   UNL     1       6.096   3.327  -0.739  1.00  0.00           O  
HETATM   33  O   UNL     1       3.141   2.064   1.020  1.00  0.00           O  
HETATM   34  O   UNL     1       4.986   2.468   3.187  1.00  0.00           O  
HETATM   35  H   UNL     1       3.205  -0.277   2.002  1.00  0.00           H  
HETATM   36  H   UNL     1       3.884  -2.647   1.931  1.00  0.00           H  
HETATM   37  H   UNL     1       3.934  -2.256  -1.098  1.00  0.00           H  
HETATM   38  H   UNL     1       2.114  -3.965   0.663  1.00  0.00           H  
HETATM   39  H   UNL     1       1.519  -1.466  -0.988  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.308  -3.187  -0.884  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.248  -3.094   0.892  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.045   0.207   0.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.106   0.114  -0.961  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.865  -1.627  -0.810  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.805  -1.534   0.966  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.458   0.856   0.864  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.518   0.763  -0.913  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.277  -0.978  -0.762  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.217  -0.885   1.015  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.870   1.505   0.912  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.931   1.412  -0.864  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.690  -0.329  -0.714  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.629  -0.236   1.063  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.282   2.153   0.961  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.343   2.061  -0.816  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.102   0.320  -0.665  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.041   0.412   1.111  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.909   1.773   0.212  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.695   2.802   1.009  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.755   2.710  -0.768  1.00  0.00           H  
HETATM   61  H   UNL     1       5.602  -0.993   1.775  1.00  0.00           H  
HETATM   62  H   UNL     1       5.549  -3.787  -0.223  1.00  0.00           H  
HETATM   63  H   UNL     1       2.545  -4.827  -1.525  1.00  0.00           H  
HETATM   64  H   UNL     1       1.512   1.053   0.249  1.00  0.00           H  
HETATM   65  H   UNL     1       2.092   2.870  -1.315  1.00  0.00           H  
HETATM   66  H   UNL     1       4.690   1.316  -1.725  1.00  0.00           H  
HETATM   67  H   UNL     1       4.180   4.049  -0.458  1.00  0.00           H  
HETATM   68  H   UNL     1       5.087   1.411   0.785  1.00  0.00           H  
HETATM   69  H   UNL     1       6.077   3.501   1.768  1.00  0.00           H  
HETATM   70  H   UNL     1       4.428   4.105   2.057  1.00  0.00           H  
HETATM   71  H   UNL     1       1.204   0.850  -2.236  1.00  0.00           H  
HETATM   72  H   UNL     1       3.879   2.492  -3.639  1.00  0.00           H  
HETATM   73  H   UNL     1       6.284   3.798  -1.562  1.00  0.00           H  
HETATM   74  H   UNL     1       5.300   2.956   3.961  1.00  0.00           H  
CONECT    1   21    2   29   35                                       
CONECT    2    3    1   18   36                                       
CONECT    3    4   19    2   37                                       
CONECT    4    5   20    3   38                                       
CONECT    5    6   21    4   39                                       
CONECT    6   22    5   40   41                                       
CONECT    7    8   17   17   22                                       
CONECT    8    9    7   42   43                                       
CONECT    9   10    8   44   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   15   13   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   15   58   59   60                                       
CONECT   17    7    7                                                 
CONECT   18    2   61                                                 
CONECT   19    3   62                                                 
CONECT   20    4   63                                                 
CONECT   21    5    1                                                 
CONECT   22    7    6                                                 
CONECT   23   29   24   33   64                                       
CONECT   24   30   23   25   65                                       
CONECT   25   24   31   26   66                                       
CONECT   26   25   27   32   67                                       
CONECT   27   33   26   28   68                                       
CONECT   28   27   34   69   70                                       
CONECT   29    1   23                                                 
CONECT   30   24   71                                                 
CONECT   31   25   72                                                 
CONECT   32   26   73                                                 
CONECT   33   23   27                                                 
CONECT   34   28   74                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
