COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.926  -1.552   1.186  1.00  0.00           C  
HETATM    2  C   UNL     1       1.286  -1.276   0.376  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.735  -0.605   2.089  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.407  -3.342   0.354  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.517  -3.401  -0.877  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.072  -3.085  -0.548  1.00  0.00           C  
HETATM    7  C   UNL     1       3.418   1.296   1.846  1.00  0.00           C  
HETATM    8  C   UNL     1       3.139   2.586   1.194  1.00  0.00           C  
HETATM    9  C   UNL     1       2.917   3.615   0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       2.638   4.904   0.021  1.00  0.00           C  
HETATM   11  N   UNL     1       0.074  -1.949   0.356  1.00  0.00           N  
HETATM   12  C   UNL     1       4.795  -1.263  -1.554  1.00  0.00           C  
HETATM   13  C   UNL     1       6.523   0.290  -2.469  1.00  0.00           C  
HETATM   14  C   UNL     1       6.214   1.251  -1.318  1.00  0.00           C  
HETATM   15  C   UNL     1       0.432   0.043   2.202  1.00  0.00           C  
HETATM   16  C   UNL     1       1.479  -0.266   1.308  1.00  0.00           C  
HETATM   17  N   UNL     1       2.404  -1.377  -0.348  1.00  0.00           N  
HETATM   18  C   UNL     1       3.288  -0.496   0.071  1.00  0.00           C  
HETATM   19  N   UNL     1       2.760   0.220   1.101  1.00  0.00           N  
HETATM   20  O   UNL     1       0.588   0.892   3.067  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.169  -2.120   1.108  1.00  0.00           N  
HETATM   22  N   UNL     1       4.551  -0.325  -0.451  1.00  0.00           N  
HETATM   23  C   UNL     1       6.251  -1.146  -2.012  1.00  0.00           C  
HETATM   24  C   UNL     1       4.760   1.064  -0.880  1.00  0.00           C  
HETATM   25  N   UNL     1       7.145  -1.483  -0.896  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.290  -1.482   1.803  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.954  -0.491   0.881  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.937  -0.906   0.118  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.060   1.677   0.098  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.523   0.761   0.880  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.115   1.295  -0.749  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.550  -0.055  -0.714  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.604  -0.458  -1.547  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.192   0.450  -2.374  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.764   1.776  -2.408  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.744   2.203  -1.614  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.552   3.095   0.109  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.451  -3.374   0.043  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.196  -4.202   0.989  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.572  -4.401  -1.308  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.877  -2.679  -1.610  1.00  0.00           H  
HETATM   42  H   UNL     1       0.381  -3.961  -0.084  1.00  0.00           H  
HETATM   43  H   UNL     1       0.458  -2.865  -1.474  1.00  0.00           H  
HETATM   44  H   UNL     1       4.494   1.122   1.862  1.00  0.00           H  
HETATM   45  H   UNL     1       3.038   1.316   2.867  1.00  0.00           H  
HETATM   46  H   UNL     1       3.128   5.705   0.576  1.00  0.00           H  
HETATM   47  H   UNL     1       3.019   4.885  -1.000  1.00  0.00           H  
HETATM   48  H   UNL     1       1.562   5.079   0.005  1.00  0.00           H  
HETATM   49  H   UNL     1       4.602  -2.281  -1.215  1.00  0.00           H  
HETATM   50  H   UNL     1       4.133  -1.026  -2.386  1.00  0.00           H  
HETATM   51  H   UNL     1       5.887   0.527  -3.322  1.00  0.00           H  
HETATM   52  H   UNL     1       7.570   0.389  -2.756  1.00  0.00           H  
HETATM   53  H   UNL     1       6.877   1.038  -0.479  1.00  0.00           H  
HETATM   54  H   UNL     1       6.366   2.277  -1.650  1.00  0.00           H  
HETATM   55  H   UNL     1       6.428  -1.832  -2.841  1.00  0.00           H  
HETATM   56  H   UNL     1       4.541   1.737  -0.051  1.00  0.00           H  
HETATM   57  H   UNL     1       4.097   1.290  -1.715  1.00  0.00           H  
HETATM   58  H   UNL     1       8.113  -1.413  -1.174  1.00  0.00           H  
HETATM   59  H   UNL     1       6.956  -0.902  -0.094  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.013  -2.241   2.102  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.921  -0.963   2.688  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.947  -1.482  -1.532  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.004   0.137  -3.014  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.248   2.474  -3.075  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.424   3.234  -1.646  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.107   3.675   0.847  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.493   3.100   0.364  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.690   3.538  -0.878  1.00  0.00           H  
CONECT    1   11    3    3   21                                       
CONECT    2   17   16   16   11                                       
CONECT    3   15    1    1                                            
CONECT    4    5   21   38   39                                       
CONECT    5    6    4   40   41                                       
CONECT    6   11    5   42   43                                       
CONECT    7    8   19   44   45                                       
CONECT    8    9    9    9    7                                       
CONECT    9   10    8    8    8                                       
CONECT   10    9   46   47   48                                       
CONECT   11    2    6    1                                            
CONECT   12   23   22   49   50                                       
CONECT   13   23   14   51   52                                       
CONECT   14   13   24   53   54                                       
CONECT   15   16   20   20    3                                       
CONECT   16   19    2    2   15                                       
CONECT   17   18   18    2                                            
CONECT   18   22   19   17   17                                       
CONECT   19    7   18   16                                            
CONECT   20   15   15                                                 
CONECT   21    1    4   26                                            
CONECT   22   12   24   18                                            
CONECT   23   25   12   13   55                                       
CONECT   24   22   14   56   57                                       
CONECT   25   23   58   59                                            
CONECT   26   21   27   60   61                                       
CONECT   27   26   30   30   28                                       
CONECT   28   27   32   32                                            
CONECT   29   37   30   31   31                                       
CONECT   30   27   27   29                                            
CONECT   31   29   29   32   36                                       
CONECT   32   28   28   31   33                                       
CONECT   33   32   34   34   62                                       
CONECT   34   33   33   35   63                                       
CONECT   35   36   36   34   64                                       
CONECT   36   31   35   35   65                                       
CONECT   37   29   66   67   68                                       
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
