COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.914   3.112   0.094  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.582   2.341  -0.561  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.038   2.305  -0.241  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.530   0.885  -0.090  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.038   0.458   1.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.514  -0.839   1.245  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.013  -1.276   2.432  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.018  -0.346   3.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.477  -1.689   0.144  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.953  -2.958   0.250  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.884  -3.777  -0.919  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.936   1.649  -1.464  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.356   0.604  -2.378  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.864   0.482  -2.473  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.465   0.053  -1.168  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.955  -1.246  -1.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.518   1.997  -1.574  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.702   1.123  -0.620  1.00  0.00           C  
HETATM   19  C   UNL     1       0.779   1.487  -0.734  1.00  0.00           C  
HETATM   20  N   UNL     1       1.562   0.647   0.182  1.00  0.00           N  
HETATM   21  C   UNL     1       1.235   0.949   1.582  1.00  0.00           C  
HETATM   22  C   UNL     1       3.002   0.797  -0.067  1.00  0.00           C  
HETATM   23  C   UNL     1       3.770  -0.265   0.724  1.00  0.00           C  
HETATM   24  C   UNL     1       5.266  -0.115   0.621  1.00  0.00           C  
HETATM   25  C   UNL     1       5.349  -1.330  -0.037  1.00  0.00           C  
HETATM   26  C   UNL     1       3.859  -1.608  -0.002  1.00  0.00           C  
HETATM   27  C   UNL     1       6.406   0.624   0.876  1.00  0.00           C  
HETATM   28  C   UNL     1       7.645   0.154   0.474  1.00  0.00           C  
HETATM   29  O   UNL     1       8.767   0.881   0.725  1.00  0.00           O  
HETATM   30  C   UNL     1       8.596   2.123   1.409  1.00  0.00           C  
HETATM   31  C   UNL     1       7.735  -1.067  -0.188  1.00  0.00           C  
HETATM   32  C   UNL     1       6.592  -1.802  -0.442  1.00  0.00           C  
HETATM   33  O   UNL     1       8.948  -1.536  -0.587  1.00  0.00           O  
HETATM   34  C   UNL     1       8.966  -2.796  -1.261  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.212   2.843   0.691  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.592   2.792  -1.043  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.064   1.129   1.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.441  -0.822   4.402  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.997  -0.029   3.728  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.620   0.522   3.248  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.459  -3.314  -1.722  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.844  -3.879  -1.230  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.296  -4.761  -0.698  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.957   0.822  -3.369  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.946  -0.347  -2.037  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.283   1.448  -2.755  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.115  -0.251  -3.240  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.928  -1.907  -1.912  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.181   1.831  -2.597  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.380   3.047  -1.313  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.039   1.290   0.403  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.840   0.074  -0.881  1.00  0.00           H  
HETATM   53  H   UNL     1       1.116   1.320  -1.757  1.00  0.00           H  
HETATM   54  H   UNL     1       0.917   2.536  -0.473  1.00  0.00           H  
HETATM   55  H   UNL     1       0.176   0.763   1.756  1.00  0.00           H  
HETATM   56  H   UNL     1       1.829   0.313   2.239  1.00  0.00           H  
HETATM   57  H   UNL     1       1.459   1.995   1.790  1.00  0.00           H  
HETATM   58  H   UNL     1       3.202   0.672  -1.131  1.00  0.00           H  
HETATM   59  H   UNL     1       3.324   1.788   0.250  1.00  0.00           H  
HETATM   60  H   UNL     1       3.417  -0.356   1.751  1.00  0.00           H  
HETATM   61  H   UNL     1       3.582  -2.464   0.613  1.00  0.00           H  
HETATM   62  H   UNL     1       3.386  -1.613  -0.984  1.00  0.00           H  
HETATM   63  H   UNL     1       6.330   1.571   1.390  1.00  0.00           H  
HETATM   64  H   UNL     1       9.566   2.600   1.545  1.00  0.00           H  
HETATM   65  H   UNL     1       7.950   2.776   0.821  1.00  0.00           H  
HETATM   66  H   UNL     1       8.140   1.942   2.383  1.00  0.00           H  
HETATM   67  H   UNL     1       6.665  -2.750  -0.956  1.00  0.00           H  
HETATM   68  H   UNL     1       8.365  -2.732  -2.168  1.00  0.00           H  
HETATM   69  H   UNL     1       9.992  -3.053  -1.523  1.00  0.00           H  
HETATM   70  H   UNL     1       8.555  -3.565  -0.606  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   12    3                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3   15   15    5                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    9    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   38   39   40                                       
CONECT    9   16   16    6   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   41   42   43                                       
CONECT   12   17    2   13                                            
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14    4    4   16                                       
CONECT   16   15    9    9   48                                       
CONECT   17   18   12   49   50                                       
CONECT   18   19   17   51   52                                       
CONECT   19   20   18   53   54                                       
CONECT   20   22   19   21                                            
CONECT   21   20   55   56   57                                       
CONECT   22   23   20   58   59                                       
CONECT   23   26   22   24   60                                       
CONECT   24   25   25   27   23                                       
CONECT   25   26   32   24   24                                       
CONECT   26   25   23   61   62                                       
CONECT   27   24   28   28   63                                       
CONECT   28   31   27   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   64   65   66                                       
CONECT   31   32   32   33   28                                       
CONECT   32   25   31   31   67                                       
CONECT   33   31   34                                                 
CONECT   34   33   68   69   70                                       
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
