COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.872  -3.002   1.134  1.00  0.00           C  
HETATM    2  C   UNL     1       2.400  -1.934   0.385  1.00  0.00           C  
HETATM    3  C   UNL     1       3.787  -1.849   0.217  1.00  0.00           C  
HETATM    4  N   UNL     1       4.549  -2.784   0.774  1.00  0.00           N  
HETATM    5  N   UNL     1       2.717  -3.894   1.649  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.054  -1.104  -0.694  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.464  -0.572  -0.961  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.976   0.082   0.252  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.358   0.540   0.059  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.104   1.194   0.655  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.694   0.662   0.922  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.182   0.008  -0.290  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.869  -0.427  -0.108  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.885   0.478   0.277  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.587   0.052   0.458  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.547  -1.766  -0.305  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.252  -2.199  -0.126  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.260  -1.291   0.255  1.00  0.00           C  
HETATM   19  C   UNL     1       0.129  -1.751   0.447  1.00  0.00           C  
HETATM   20  N   UNL     1       0.509  -2.868   1.155  1.00  0.00           N  
HETATM   21  C   UNL     1       4.015  -3.772   1.470  1.00  0.00           C  
HETATM   22  O   UNL     1       4.339  -0.839  -0.496  1.00  0.00           O  
HETATM   23  C   UNL     1       5.763  -0.831  -0.616  1.00  0.00           C  
HETATM   24  C   UNL     1       6.175  -1.623  -1.859  1.00  0.00           C  
HETATM   25  C   UNL     1       6.257   0.611  -0.743  1.00  0.00           C  
HETATM   26  C   UNL     1       1.255  -1.129  -0.055  1.00  0.00           C  
HETATM   27  C   UNL     1       1.298   0.103  -0.873  1.00  0.00           C  
HETATM   28  C   UNL     1       1.875   1.264  -0.360  1.00  0.00           C  
HETATM   29  C   UNL     1       0.765   0.105  -2.164  1.00  0.00           C  
HETATM   30  C   UNL     1       0.807   1.256  -2.925  1.00  0.00           C  
HETATM   31  C   UNL     1       1.375   2.408  -2.414  1.00  0.00           C  
HETATM   32  C   UNL     1       1.913   2.414  -1.132  1.00  0.00           C  
HETATM   33  N   UNL     1       2.491   3.581  -0.622  1.00  0.00           N  
HETATM   34  C   UNL     1       2.403   3.856   0.695  1.00  0.00           C  
HETATM   35  O   UNL     1       1.749   3.140   1.422  1.00  0.00           O  
HETATM   36  C   UNL     1       3.118   5.055   1.263  1.00  0.00           C  
HETATM   37  C   UNL     1       2.857   5.138   2.769  1.00  0.00           C  
HETATM   38  H   UNL     1      -6.090  -1.846   0.104  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.661  -1.564  -1.600  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.432   0.149  -1.777  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.119  -1.400  -1.232  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.995  -0.314  -0.173  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.712   1.020   0.971  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.393   1.253  -0.764  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.068   1.935  -0.143  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.497   1.654   1.561  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.038   1.490   1.193  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.726  -0.059   1.738  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.139   1.516   0.433  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.824   0.756   0.756  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.315  -2.467  -0.599  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.003  -3.238  -0.279  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.101  -3.474   1.604  1.00  0.00           H  
HETATM   54  H   UNL     1       4.670  -4.511   1.906  1.00  0.00           H  
HETATM   55  H   UNL     1       6.205  -1.290   0.269  1.00  0.00           H  
HETATM   56  H   UNL     1       5.734  -1.165  -2.744  1.00  0.00           H  
HETATM   57  H   UNL     1       7.261  -1.618  -1.950  1.00  0.00           H  
HETATM   58  H   UNL     1       5.823  -2.651  -1.768  1.00  0.00           H  
HETATM   59  H   UNL     1       5.964   1.175   0.142  1.00  0.00           H  
HETATM   60  H   UNL     1       7.343   0.617  -0.835  1.00  0.00           H  
HETATM   61  H   UNL     1       5.816   1.069  -1.629  1.00  0.00           H  
HETATM   62  H   UNL     1       2.292   1.266   0.636  1.00  0.00           H  
HETATM   63  H   UNL     1       0.321  -0.793  -2.566  1.00  0.00           H  
HETATM   64  H   UNL     1       0.395   1.256  -3.923  1.00  0.00           H  
HETATM   65  H   UNL     1       1.406   3.305  -3.015  1.00  0.00           H  
HETATM   66  H   UNL     1       2.955   4.193  -1.215  1.00  0.00           H  
HETATM   67  H   UNL     1       4.189   4.957   1.086  1.00  0.00           H  
HETATM   68  H   UNL     1       2.751   5.960   0.780  1.00  0.00           H  
HETATM   69  H   UNL     1       3.224   4.233   3.252  1.00  0.00           H  
HETATM   70  H   UNL     1       3.374   6.005   3.180  1.00  0.00           H  
HETATM   71  H   UNL     1       1.786   5.236   2.946  1.00  0.00           H  
CONECT    1    5    5    2   20                                       
CONECT    2    3    3    1   26                                       
CONECT    3    4   22    2    2                                       
CONECT    4   21   21    3                                            
CONECT    5   21    1    1                                            
CONECT    6   12    7   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7   10    9                                            
CONECT    9    8   42   43   44                                       
CONECT   10   11    8   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   13    6   11                                            
CONECT   13   16   16   14   12                                       
CONECT   14   15   15   13   49                                       
CONECT   15   18   14   14   50                                       
CONECT   16   17   13   13   51                                       
CONECT   17   18   18   16   52                                       
CONECT   18   19   17   17   15                                       
CONECT   19   26   26   20   18                                       
CONECT   20    1   19   53                                            
CONECT   21    4    4    5   54                                       
CONECT   22   23    3                                                 
CONECT   23   25   24   22   55                                       
CONECT   24   23   56   57   58                                       
CONECT   25   23   59   60   61                                       
CONECT   26    2   27   19   19                                       
CONECT   27   28   26   29   29                                       
CONECT   28   32   32   27   62                                       
CONECT   29   27   27   30   63                                       
CONECT   30   31   31   29   64                                       
CONECT   31   32   30   30   65                                       
CONECT   32   33   28   28   31                                       
CONECT   33   34   32   66                                            
CONECT   34   36   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   67   68                                       
CONECT   37   36   69   70   71                                       
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
