COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.927   0.862   1.214  1.00  0.00           O  
HETATM    2  C   UNL     1       7.721   2.674   0.120  1.00  0.00           C  
HETATM    3  C   UNL     1       7.658   1.610  -0.978  1.00  0.00           C  
HETATM    4  C   UNL     1       6.390   2.360  -0.566  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.877   0.492   0.057  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.935   0.680  -0.757  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.145   1.329  -0.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.920   1.983  -1.404  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.306   1.306  -1.445  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.506   0.765  -0.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.087   0.277   0.375  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.764  -0.105  -0.412  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.614  -0.309   0.473  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.801  -1.607   1.261  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.669  -1.753   2.279  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.144  -1.570   1.993  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.356  -0.399  -0.352  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.396  -0.861  -1.472  1.00  0.00           O  
HETATM   19  N   UNL     1       0.815   0.035   0.156  1.00  0.00           N  
HETATM   20  C   UNL     1       2.132  -0.107  -0.483  1.00  0.00           C  
HETATM   21  C   UNL     1       3.167   0.560   0.447  1.00  0.00           C  
HETATM   22  C   UNL     1       2.302   1.531   1.293  1.00  0.00           C  
HETATM   23  C   UNL     1       0.989   0.724   1.448  1.00  0.00           C  
HETATM   24  N   UNL     1       4.169   1.298  -0.326  1.00  0.00           N  
HETATM   25  C   UNL     1       5.359   1.601   0.229  1.00  0.00           C  
HETATM   26  O   UNL     1       5.600   1.263   1.368  1.00  0.00           O  
HETATM   27  C   UNL     1       2.475  -1.586  -0.668  1.00  0.00           C  
HETATM   28  C   UNL     1       2.584  -2.330   0.638  1.00  0.00           C  
HETATM   29  O   UNL     1       1.857  -3.267   0.862  1.00  0.00           O  
HETATM   30  C   UNL     1       1.595  -2.298  -1.710  1.00  0.00           C  
HETATM   31  C   UNL     1       2.868  -3.026  -2.172  1.00  0.00           C  
HETATM   32  C   UNL     1       3.659  -1.830  -1.619  1.00  0.00           C  
HETATM   33  H   UNL     1       8.202   3.621  -0.125  1.00  0.00           H  
HETATM   34  H   UNL     1       7.851   2.331   1.146  1.00  0.00           H  
HETATM   35  H   UNL     1       7.747   0.567  -0.673  1.00  0.00           H  
HETATM   36  H   UNL     1       8.098   1.857  -1.944  1.00  0.00           H  
HETATM   37  H   UNL     1       5.995   3.101  -1.262  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.895   0.386  -1.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.881   2.081   0.497  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.032   3.052  -1.222  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.396   1.818  -2.345  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.079   2.034  -1.690  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.309   0.488  -2.165  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.836   1.559   0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.214  -0.065  -0.003  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.893  -0.707  -0.051  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.971   0.255   1.459  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.724  -0.399  -1.335  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.535   0.529   1.165  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.784  -2.454   0.575  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.847  -2.632   2.898  1.00  0.00           H  
HETATM   52  H   UNL     1       0.280  -1.865   1.754  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.632  -0.865   2.911  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.161  -0.723   2.679  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.951  -1.466   1.267  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.277  -2.495   2.554  1.00  0.00           H  
HETATM   57  H   UNL     1       2.124   0.396  -1.450  1.00  0.00           H  
HETATM   58  H   UNL     1       3.645  -0.185   1.083  1.00  0.00           H  
HETATM   59  H   UNL     1       2.126   2.465   0.759  1.00  0.00           H  
HETATM   60  H   UNL     1       2.762   1.719   2.264  1.00  0.00           H  
HETATM   61  H   UNL     1       0.151   1.395   1.635  1.00  0.00           H  
HETATM   62  H   UNL     1       1.083  -0.002   2.255  1.00  0.00           H  
HETATM   63  H   UNL     1       3.976   1.568  -1.237  1.00  0.00           H  
HETATM   64  H   UNL     1       3.313  -2.024   1.374  1.00  0.00           H  
HETATM   65  H   UNL     1       0.848  -2.959  -1.271  1.00  0.00           H  
HETATM   66  H   UNL     1       1.179  -1.626  -2.461  1.00  0.00           H  
HETATM   67  H   UNL     1       3.055  -3.958  -1.639  1.00  0.00           H  
HETATM   68  H   UNL     1       2.940  -3.135  -3.254  1.00  0.00           H  
HETATM   69  H   UNL     1       3.807  -1.031  -2.345  1.00  0.00           H  
HETATM   70  H   UNL     1       4.579  -2.114  -1.107  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2    3    4   33   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    2    3   25   37                                       
CONECT    5    1    1    6   12                                       
CONECT    6    5    7   38                                            
CONECT    7    6    8   11   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11    7   10   46   47                                       
CONECT   12    5   13   48                                            
CONECT   13   12   14   17   49                                       
CONECT   14   13   15   16   50                                       
CONECT   15   14   51   52   53                                       
CONECT   16   14   54   55   56                                       
CONECT   17   13   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   23                                            
CONECT   20   19   21   27   57                                       
CONECT   21   20   22   24   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   19   22   61   62                                       
CONECT   24   21   25   63                                            
CONECT   25    4   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   20   28   30   32                                       
CONECT   28   27   29   29   64                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   65   66                                       
CONECT   31   30   32   67   68                                       
CONECT   32   27   31   69   70                                       
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
