COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.070  -0.387  -0.119  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.239   0.751   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       0.163   0.557   0.070  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.026  -5.382  -0.572  1.00  0.00           C  
HETATM    5  N   UNL     1       0.631  -0.679  -0.028  1.00  0.00           N  
HETATM    6  C   UNL     1       1.858  -4.660   0.719  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.497  -1.598  -0.211  1.00  0.00           N  
HETATM    8  C   UNL     1       1.223  -3.279   0.896  1.00  0.00           C  
HETATM    9  N   UNL     1       0.367  -2.986  -0.262  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.185  -1.721  -0.165  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.459  -0.223  -0.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.998   1.041  -0.073  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.346   1.203  -0.122  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.136   0.023  -0.276  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.170   2.162   0.078  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.725   3.400   0.173  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.829   4.503   0.325  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.812   2.025   0.124  1.00  0.00           C  
HETATM   19  N   UNL     1       1.021   1.628   0.211  1.00  0.00           N  
HETATM   20  C   UNL     1       2.468   1.407   0.253  1.00  0.00           C  
HETATM   21  C   UNL     1       3.140   2.560   1.004  1.00  0.00           C  
HETATM   22  C   UNL     1       3.019   1.346  -1.174  1.00  0.00           C  
HETATM   23  C   UNL     1       4.539   1.176  -1.123  1.00  0.00           C  
HETATM   24  N   UNL     1       5.135   2.305  -0.396  1.00  0.00           N  
HETATM   25  C   UNL     1       6.602   2.247  -0.447  1.00  0.00           C  
HETATM   26  C   UNL     1       4.657   2.355   0.993  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.681  -4.008  -0.407  1.00  0.00           C  
HETATM   28  O   UNL     1       0.826  -5.636   0.548  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.799  -6.149  -0.622  1.00  0.00           H  
HETATM   30  H   UNL     1       0.563  -5.398  -1.488  1.00  0.00           H  
HETATM   31  H   UNL     1       2.502  -4.655  -0.161  1.00  0.00           H  
HETATM   32  H   UNL     1       2.449  -4.906   1.601  1.00  0.00           H  
HETATM   33  H   UNL     1       0.622  -3.269   1.805  1.00  0.00           H  
HETATM   34  H   UNL     1       2.007  -2.525   0.970  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.104  -1.082  -0.287  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.866  -0.476  -1.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.952  -0.650   0.562  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.192   0.293  -0.301  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.158   4.547  -0.533  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.400   5.429   0.389  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.244   4.373   1.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.183   2.895   0.241  1.00  0.00           H  
HETATM   43  H   UNL     1       0.665   2.528   0.282  1.00  0.00           H  
HETATM   44  H   UNL     1       2.678   0.468   0.765  1.00  0.00           H  
HETATM   45  H   UNL     1       2.897   3.503   0.515  1.00  0.00           H  
HETATM   46  H   UNL     1       2.784   2.580   2.034  1.00  0.00           H  
HETATM   47  H   UNL     1       2.575   0.501  -1.699  1.00  0.00           H  
HETATM   48  H   UNL     1       2.773   2.270  -1.698  1.00  0.00           H  
HETATM   49  H   UNL     1       4.783   0.245  -0.611  1.00  0.00           H  
HETATM   50  H   UNL     1       4.936   1.147  -2.137  1.00  0.00           H  
HETATM   51  H   UNL     1       6.948   1.355   0.074  1.00  0.00           H  
HETATM   52  H   UNL     1       6.929   2.211  -1.486  1.00  0.00           H  
HETATM   53  H   UNL     1       7.017   3.133   0.034  1.00  0.00           H  
HETATM   54  H   UNL     1       5.139   3.181   1.514  1.00  0.00           H  
HETATM   55  H   UNL     1       4.900   1.418   1.494  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.287  -3.786  -1.286  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.313  -4.009   0.481  1.00  0.00           H  
CONECT    1    2   11   11    7                                       
CONECT    2   18   18    1    3                                       
CONECT    3    2   19    5    5                                       
CONECT    4   27   28   29   30                                       
CONECT    5    3    3   10                                            
CONECT    6    8   28   31   32                                       
CONECT    7    1   10   10                                            
CONECT    8    9    6   33   34                                       
CONECT    9   10   27    8                                            
CONECT   10    7    7    5    9                                       
CONECT   11   12    1    1   35                                       
CONECT   12   15   15   13   11                                       
CONECT   13   14   12                                                 
CONECT   14   13   36   37   38                                       
CONECT   15   16   12   12   18                                       
CONECT   16   17   15                                                 
CONECT   17   16   39   40   41                                       
CONECT   18   15    2    2   42                                       
CONECT   19    3   20   43                                            
CONECT   20   19   21   22   44                                       
CONECT   21   20   26   45   46                                       
CONECT   22   20   23   47   48                                       
CONECT   23   24   22   49   50                                       
CONECT   24   26   25   23                                            
CONECT   25   24   51   52   53                                       
CONECT   26   21   24   54   55                                       
CONECT   27    9    4   56   57                                       
CONECT   28    6    4                                                 
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
