COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.504   2.227  -1.588  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.205   1.287  -0.878  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.214   0.266  -0.522  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.566   0.500  -0.745  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.501  -0.466  -0.405  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.102  -1.663   0.154  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.800  -0.954   0.046  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.752  -1.918   0.384  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.365  -3.096   0.933  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.364  -1.201   0.282  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.966  -2.323   0.531  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.828   1.150  -0.356  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.417  -0.072   0.211  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.117  -0.197   0.698  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.710  -1.370   1.243  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.936   2.209  -0.418  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.640   2.076   0.077  1.00  0.00           C  
HETATM   18  C   UNL     1       0.263   3.279  -0.012  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.230   0.884   0.626  1.00  0.00           C  
HETATM   20  C   UNL     1       1.161   0.676   1.169  1.00  0.00           C  
HETATM   21  C   UNL     1       1.843   2.018   1.427  1.00  0.00           C  
HETATM   22  C   UNL     1       1.724   2.871   0.158  1.00  0.00           C  
HETATM   23  O   UNL     1       2.147   2.110  -0.975  1.00  0.00           O  
HETATM   24  C   UNL     1       2.596   4.121   0.295  1.00  0.00           C  
HETATM   25  C   UNL     1       2.369   5.035  -0.911  1.00  0.00           C  
HETATM   26  O   UNL     1       1.929  -0.068   0.221  1.00  0.00           O  
HETATM   27  C   UNL     1       2.405  -1.233   0.899  1.00  0.00           C  
HETATM   28  C   UNL     1       2.927  -2.241  -0.127  1.00  0.00           C  
HETATM   29  C   UNL     1       4.052  -1.590  -0.939  1.00  0.00           C  
HETATM   30  N   UNL     1       4.665  -2.590  -1.823  1.00  0.00           N  
HETATM   31  C   UNL     1       3.600  -3.082  -2.708  1.00  0.00           C  
HETATM   32  C   UNL     1       5.623  -1.872  -2.674  1.00  0.00           C  
HETATM   33  C   UNL     1       5.104  -1.042   0.031  1.00  0.00           C  
HETATM   34  O   UNL     1       5.735  -2.126   0.715  1.00  0.00           O  
HETATM   35  C   UNL     1       4.417  -0.124   1.045  1.00  0.00           C  
HETATM   36  O   UNL     1       3.456  -0.865   1.791  1.00  0.00           O  
HETATM   37  C   UNL     1       5.465   0.454   1.999  1.00  0.00           C  
HETATM   38  H   UNL     1      -6.889   1.433  -1.181  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.550  -0.280  -0.579  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.841  -2.407   0.414  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.360  -2.969   1.892  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.911  -1.323   2.188  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.248   3.147  -0.854  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.005   3.989   0.771  1.00  0.00           H  
HETATM   45  H   UNL     1       0.134   3.754  -0.985  1.00  0.00           H  
HETATM   46  H   UNL     1       1.102   0.117   2.103  1.00  0.00           H  
HETATM   47  H   UNL     1       2.895   1.855   1.663  1.00  0.00           H  
HETATM   48  H   UNL     1       1.353   2.525   2.258  1.00  0.00           H  
HETATM   49  H   UNL     1       2.048   2.682  -1.748  1.00  0.00           H  
HETATM   50  H   UNL     1       3.646   3.829   0.336  1.00  0.00           H  
HETATM   51  H   UNL     1       2.330   4.652   1.208  1.00  0.00           H  
HETATM   52  H   UNL     1       2.990   5.925  -0.814  1.00  0.00           H  
HETATM   53  H   UNL     1       2.635   4.504  -1.825  1.00  0.00           H  
HETATM   54  H   UNL     1       1.320   5.327  -0.953  1.00  0.00           H  
HETATM   55  H   UNL     1       1.589  -1.681   1.466  1.00  0.00           H  
HETATM   56  H   UNL     1       3.312  -3.120   0.389  1.00  0.00           H  
HETATM   57  H   UNL     1       2.117  -2.534  -0.795  1.00  0.00           H  
HETATM   58  H   UNL     1       3.646  -0.774  -1.537  1.00  0.00           H  
HETATM   59  H   UNL     1       4.008  -3.831  -3.386  1.00  0.00           H  
HETATM   60  H   UNL     1       2.807  -3.528  -2.108  1.00  0.00           H  
HETATM   61  H   UNL     1       3.196  -2.250  -3.285  1.00  0.00           H  
HETATM   62  H   UNL     1       6.377  -1.393  -2.048  1.00  0.00           H  
HETATM   63  H   UNL     1       6.107  -2.576  -3.351  1.00  0.00           H  
HETATM   64  H   UNL     1       5.097  -1.114  -3.253  1.00  0.00           H  
HETATM   65  H   UNL     1       5.853  -0.476  -0.524  1.00  0.00           H  
HETATM   66  H   UNL     1       6.387  -1.738   1.314  1.00  0.00           H  
HETATM   67  H   UNL     1       3.919   0.690   0.518  1.00  0.00           H  
HETATM   68  H   UNL     1       6.199   1.025   1.431  1.00  0.00           H  
HETATM   69  H   UNL     1       4.976   1.107   2.722  1.00  0.00           H  
HETATM   70  H   UNL     1       5.965  -0.359   2.525  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   39                                       
CONECT    6    5    5    8   40                                       
CONECT    7    3    8    8   10                                       
CONECT    8    6    7    7    9                                       
CONECT    9    8   41                                                 
CONECT   10    7   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    2   13   13   16                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   42                                                 
CONECT   16   12   17   17   43                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   22   44   45                                       
CONECT   19   14   14   17   20                                       
CONECT   20   19   21   26   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   18   21   23   24                                       
CONECT   23   22   49                                                 
CONECT   24   22   25   50   51                                       
CONECT   25   24   52   53   54                                       
CONECT   26   20   27                                                 
CONECT   27   26   28   36   55                                       
CONECT   28   27   29   56   57                                       
CONECT   29   28   30   33   58                                       
CONECT   30   29   31   32                                            
CONECT   31   30   59   60   61                                       
CONECT   32   30   62   63   64                                       
CONECT   33   29   34   35   65                                       
CONECT   34   33   66                                                 
CONECT   35   33   36   37   67                                       
CONECT   36   27   35                                                 
CONECT   37   35   68   69   70                                       
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
