COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.391  -0.110  -0.486  1.00  0.00           C  
HETATM    2  C   UNL     1       7.528  -1.168   2.773  1.00  0.00           C  
HETATM    3  C   UNL     1       5.541  -1.239   1.248  1.00  0.00           C  
HETATM    4  C   UNL     1       3.755  -2.052  -1.532  1.00  0.00           C  
HETATM    5  C   UNL     1       2.552  -2.219  -2.203  1.00  0.00           C  
HETATM    6  C   UNL     1       1.550  -1.300  -2.079  1.00  0.00           C  
HETATM    7  C   UNL     1       1.729  -0.171  -1.267  1.00  0.00           C  
HETATM    8  C   UNL     1       0.903   0.932  -0.942  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.498   1.172  -1.443  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.500   0.526  -0.484  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.922   0.769  -0.993  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.225   0.422  -0.426  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.668   1.722   0.243  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.295  -0.551   0.653  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.032  -1.657   1.055  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.548  -2.933   0.852  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.319  -3.113   0.245  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.073  -0.730   0.044  1.00  0.00           C  
HETATM   19  C   UNL     1       1.111   2.993   0.484  1.00  0.00           C  
HETATM   20  OXT UNL     1       1.900   3.706   1.313  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.007   3.390   0.217  1.00  0.00           O  
HETATM   22  CA  UNL     1       1.602   1.736  -0.097  1.00  0.00           C  
HETATM   23  N   UNL     1       2.847   1.182   0.129  1.00  0.00           N  
HETATM   24  C   UNL     1       2.944   0.010  -0.581  1.00  0.00           C  
HETATM   25  C   UNL     1       3.961  -0.945  -0.721  1.00  0.00           C  
HETATM   26  C   UNL     1       5.249  -0.776  -0.002  1.00  0.00           C  
HETATM   27  C   UNL     1       4.614  -2.014   2.149  1.00  0.00           C  
HETATM   28  N   UNL     1       6.808  -0.877   1.531  1.00  0.00           N  
HETATM   29  N   UNL     1       7.318  -0.173   0.433  1.00  0.00           N  
HETATM   30  C   UNL     1       6.524   0.555  -1.832  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.858   0.166  -0.097  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.587  -2.015  -0.157  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.877   0.812   0.917  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.183   1.868   0.059  1.00  0.00           C  
HETATM   35  H   UNL     1       8.049  -2.121   2.676  1.00  0.00           H  
HETATM   36  H   UNL     1       8.252  -0.377   2.968  1.00  0.00           H  
HETATM   37  H   UNL     1       6.819  -1.224   3.600  1.00  0.00           H  
HETATM   38  H   UNL     1       4.535  -2.792  -1.639  1.00  0.00           H  
HETATM   39  H   UNL     1       2.406  -3.086  -2.830  1.00  0.00           H  
HETATM   40  H   UNL     1       0.619  -1.443  -2.607  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.686   2.244  -1.497  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.609   0.733  -2.435  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.311  -0.546  -0.431  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.388   0.965   0.507  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.110   1.842  -1.047  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.033   0.331  -1.985  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.322   0.523  -1.507  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.429   1.689   1.305  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.159   2.566  -0.222  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.992  -1.518   1.530  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.127  -3.789   1.168  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.935  -4.109   0.086  1.00  0.00           H  
HETATM   53  HXT UNL     1       1.533   4.526   1.671  1.00  0.00           H  
HETATM   54  H   UNL     1       3.538   1.558   0.695  1.00  0.00           H  
HETATM   55  H   UNL     1       4.048  -1.320   2.772  1.00  0.00           H  
HETATM   56  H   UNL     1       3.925  -2.602   1.543  1.00  0.00           H  
HETATM   57  H   UNL     1       5.198  -2.679   2.786  1.00  0.00           H  
HETATM   58  H   UNL     1       6.212   1.597  -1.755  1.00  0.00           H  
HETATM   59  H   UNL     1       7.563   0.511  -2.158  1.00  0.00           H  
HETATM   60  H   UNL     1       5.893   0.039  -2.556  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.627  -2.157  -0.631  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.941   0.800   0.682  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.745   1.061   1.970  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.498   2.862   0.375  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.442   1.717  -0.989  1.00  0.00           H  
CONECT    1   30   26   29   29                                       
CONECT    2   28   35   36   37                                       
CONECT    3   26   26   28   27                                       
CONECT    4    5   25   25   38                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6   24   24    8                                       
CONECT    8    7    9   22   22                                       
CONECT    9   10    8   41   42                                       
CONECT   10   11    9   43   44                                       
CONECT   11   31   10   45   46                                       
CONECT   12   13   18   31   47                                       
CONECT   13   34   12   48   49                                       
CONECT   14   33   15   15   18                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   17   17   51                                       
CONECT   17   16   16   32   52                                       
CONECT   18   14   12   32   32                                       
CONECT   19   22   21   21   20                                       
CONECT   20   19   53                                                 
CONECT   21   19   19                                                 
CONECT   22    8    8   23   19                                       
CONECT   23   24   22   54                                            
CONECT   24    7    7   25   23                                       
CONECT   25    4    4   24   26                                       
CONECT   26   25    1    3    3                                       
CONECT   27    3   55   56   57                                       
CONECT   28   29    3    2                                            
CONECT   29    1    1   28                                            
CONECT   30    1   58   59   60                                       
CONECT   31   12   11                                                 
CONECT   32   18   18   17   61                                       
CONECT   33   34   14   62   63                                       
CONECT   34   33   13   64   65                                       
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
