COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.193   3.038  -0.511  1.00  0.00           N  
HETATM    2  C   UNL     1       0.902   3.444  -0.219  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.163   2.520  -0.268  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.441   2.950   0.028  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.634   4.271   0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.584   5.112   0.396  1.00  0.00           C  
HETATM    7  N   UNL     1       0.657   4.698   0.114  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.257   1.887  -0.093  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.746   1.905   0.140  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.206   0.953   1.258  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.410   0.612   0.363  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.768  -0.813   0.378  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.708  -1.131  -0.706  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.994  -2.634  -0.705  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.548  -3.024   0.599  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.907  -4.448   0.615  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.608  -2.706   1.684  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.322  -1.202   1.683  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.533   1.013  -0.835  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.563   0.835  -0.443  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.267   1.166  -0.565  1.00  0.00           C  
HETATM   22  C   UNL     1       0.840   0.262  -0.945  1.00  0.00           C  
HETATM   23  C   UNL     1       2.022   0.283  -0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       3.070  -0.577  -0.587  1.00  0.00           C  
HETATM   25  C   UNL     1       2.897  -1.453  -1.689  1.00  0.00           C  
HETATM   26  C   UNL     1       1.685  -1.451  -2.402  1.00  0.00           C  
HETATM   27  C   UNL     1       0.681  -0.616  -2.032  1.00  0.00           C  
HETATM   28  N   UNL     1       4.221  -0.577   0.091  1.00  0.00           N  
HETATM   29  C   UNL     1       5.213  -1.382  -0.243  1.00  0.00           C  
HETATM   30  C   UNL     1       5.102  -2.270  -1.323  1.00  0.00           C  
HETATM   31  C   UNL     1       3.950  -2.315  -2.051  1.00  0.00           C  
HETATM   32  C   UNL     1       6.471  -1.345   0.540  1.00  0.00           C  
HETATM   33  C   UNL     1       6.601  -0.468   1.616  1.00  0.00           C  
HETATM   34  C   UNL     1       7.774  -0.439   2.341  1.00  0.00           C  
HETATM   35  C   UNL     1       8.822  -1.276   2.002  1.00  0.00           C  
HETATM   36  C   UNL     1       8.699  -2.148   0.935  1.00  0.00           C  
HETATM   37  C   UNL     1       7.528  -2.191   0.206  1.00  0.00           C  
HETATM   38  H   UNL     1       2.949   3.555  -0.189  1.00  0.00           H  
HETATM   39  H   UNL     1       2.342   2.235  -1.034  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.624   4.631   0.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.747   6.147   0.660  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.148   2.914   0.233  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.531   0.113   1.421  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.479   1.464   2.181  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.268   1.266   0.517  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.638  -0.583  -0.553  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.270  -0.845  -1.662  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.713  -2.868  -1.490  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.068  -3.181  -0.885  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.018  -5.049   0.419  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.314  -4.710   1.591  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.654  -4.643  -0.155  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.046  -2.992   2.640  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.678  -3.253   1.531  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.603  -0.968   2.468  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.248  -0.656   1.862  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.070   1.573  -1.601  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.947   0.190  -1.243  1.00  0.00           H  
HETATM   59  H   UNL     1       2.136   0.957   0.613  1.00  0.00           H  
HETATM   60  H   UNL     1       1.552  -2.118  -3.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.248  -0.620  -2.584  1.00  0.00           H  
HETATM   62  H   UNL     1       5.928  -2.919  -1.576  1.00  0.00           H  
HETATM   63  H   UNL     1       3.848  -2.993  -2.885  1.00  0.00           H  
HETATM   64  H   UNL     1       5.784   0.187   1.882  1.00  0.00           H  
HETATM   65  H   UNL     1       7.876   0.240   3.175  1.00  0.00           H  
HETATM   66  H   UNL     1       9.738  -1.249   2.572  1.00  0.00           H  
HETATM   67  H   UNL     1       9.520  -2.800   0.675  1.00  0.00           H  
HETATM   68  H   UNL     1       7.433  -2.872  -0.626  1.00  0.00           H  
CONECT    1    2   38   39                                            
CONECT    2    1    7    7    3                                       
CONECT    3    2   21   21    4                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    2    2    6                                            
CONECT    8    4   20   20    9                                       
CONECT    9    8   10   19   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   19   12   45                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   17   16                                            
CONECT   16   15   50   51   52                                       
CONECT   17   15   18   53   54                                       
CONECT   18   12   17   55   56                                       
CONECT   19    9   11   57   58                                       
CONECT   20    8    8   21                                            
CONECT   21    3    3   20   22                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   59                                       
CONECT   24   23   28   28   25                                       
CONECT   25   24   31   31   26                                       
CONECT   26   25   27   27   60                                       
CONECT   27   22   26   26   61                                       
CONECT   28   24   24   29                                            
CONECT   29   28   32   30   30                                       
CONECT   30   29   29   31   62                                       
CONECT   31   25   25   30   63                                       
CONECT   32   29   37   37   33                                       
CONECT   33   32   34   34   64                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   36   36   66                                       
CONECT   36   35   35   37   67                                       
CONECT   37   32   32   36   68                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
