COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.751  -2.000  -0.629  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.674  -2.886  -0.076  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.436  -3.443   1.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.595  -1.677   0.079  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.642  -0.767  -0.481  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.430   3.321   0.163  1.00  0.00           C  
HETATM    7  C   UNL     1       4.003   1.478  -0.600  1.00  0.00           C  
HETATM    8  C   UNL     1       0.395   1.698  -1.251  1.00  0.00           C  
HETATM    9  C   UNL     1       2.799   2.386  -0.970  1.00  0.00           C  
HETATM   10  C   UNL     1       1.613   1.635  -0.326  1.00  0.00           C  
HETATM   11  C   UNL     1       6.661  -3.186   0.876  1.00  0.00           C  
HETATM   12  C   UNL     1       6.959  -2.498  -1.307  1.00  0.00           C  
HETATM   13  N   UNL     1       5.918  -1.693  -1.267  1.00  0.00           N  
HETATM   14  C   UNL     1       5.188  -1.585  -0.162  1.00  0.00           C  
HETATM   15  C   UNL     1       5.542  -2.342   0.967  1.00  0.00           C  
HETATM   16  N   UNL     1       4.078  -0.863   0.199  1.00  0.00           N  
HETATM   17  C   UNL     1       3.788  -1.179   1.492  1.00  0.00           C  
HETATM   18  C   UNL     1       3.342   0.078  -0.650  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.169   1.875   0.589  1.00  0.00           C  
HETATM   20  CA  UNL     1      -1.984   4.110   1.351  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.880   0.913  -1.516  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.860  -0.022  -0.941  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.288  -3.118   1.878  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.369  -2.241   1.336  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.904  -3.234  -0.820  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.357   5.499   0.902  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.760   1.087  -0.581  1.00  0.00           N  
HETATM   28  N   UNL     1       7.054  -3.960   1.954  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.962   4.194   2.403  1.00  0.00           N  
HETATM   30  N   UNL     1      -8.795  -4.091  -0.285  1.00  0.00           N  
HETATM   31  N   UNL     1       7.330  -3.229  -0.272  1.00  0.00           N  
HETATM   32  N   UNL     1       4.647  -2.047   1.941  1.00  0.00           N  
HETATM   33  O   UNL     1       2.013   0.272  -0.142  1.00  0.00           O  
HETATM   34  O   UNL     1       2.639   2.468  -2.387  1.00  0.00           O  
HETATM   35  O   UNL     1       5.048   1.590  -1.568  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.110  -2.748  -1.915  1.00  0.00           O  
HETATM   37  OXT UNL     1      -3.519   5.709   0.264  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.610   6.424   1.116  1.00  0.00           O  
HETATM   39  H   UNL     1      -5.929  -1.570  -1.603  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.150  -4.129   1.612  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.498   3.776  -0.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.154   3.335  -0.651  1.00  0.00           H  
HETATM   43  H   UNL     1       4.372   1.703   0.401  1.00  0.00           H  
HETATM   44  H   UNL     1       0.171   2.739  -1.485  1.00  0.00           H  
HETATM   45  H   UNL     1       0.610   1.156  -2.172  1.00  0.00           H  
HETATM   46  H   UNL     1       2.912   3.378  -0.533  1.00  0.00           H  
HETATM   47  H   UNL     1       1.369   2.084   0.637  1.00  0.00           H  
HETATM   48  H   UNL     1       7.531  -2.563  -2.221  1.00  0.00           H  
HETATM   49  H   UNL     1       2.966  -0.771   2.061  1.00  0.00           H  
HETATM   50  H   UNL     1       3.307  -0.288  -1.676  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.375   1.854   1.336  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.079   1.451   1.013  1.00  0.00           H  
HETATM   53  HA  UNL     1      -2.868   3.606   1.742  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.507   0.514  -2.459  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.357   1.877  -1.694  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.109  -3.552   2.851  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.474  -1.992   1.885  1.00  0.00           H  
HETATM   58  H   UNL     1       7.826  -4.542   1.877  1.00  0.00           H  
HETATM   59  H   UNL     1       6.558  -3.920   2.786  1.00  0.00           H  
HETATM   60  H1  UNL     1      -0.742   3.278   2.767  1.00  0.00           H  
HETATM   61  H2  UNL     1      -0.133   4.658   2.066  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.631  -4.479   0.589  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.602  -4.319  -0.772  1.00  0.00           H  
HETATM   64  H   UNL     1       3.398   2.853  -2.846  1.00  0.00           H  
HETATM   65  H   UNL     1       5.418   2.480  -1.646  1.00  0.00           H  
HETATM   66  HXT UNL     1      -3.714   6.617  -0.005  1.00  0.00           H  
CONECT    1    2    2    4   39                                       
CONECT    2   25    1    1    3                                       
CONECT    3    2   23   23   40                                       
CONECT    4    1    5   24   24                                       
CONECT    5   22   22   22    4                                       
CONECT    6   19   20   41   42                                       
CONECT    7   18   35    9   43                                       
CONECT    8   10   27   44   45                                       
CONECT    9    7   34   10   46                                       
CONECT   10   33    8    9   47                                       
CONECT   11   28   15   15   31                                       
CONECT   12   31   31   13   48                                       
CONECT   13   14   14   12                                            
CONECT   14   15   16   13   13                                       
CONECT   15   32   11   11   14                                       
CONECT   16   17   14   18                                            
CONECT   17   32   32   16   49                                       
CONECT   18   16    7   33   50                                       
CONECT   19   27    6   51   52                                       
CONECT   20    6   29   26   53                                       
CONECT   21   22   27   54   55                                       
CONECT   22   21    5    5    5                                       
CONECT   23    3    3   24   56                                       
CONECT   24    4    4   23   57                                       
CONECT   25   36   36   30    2                                       
CONECT   26   20   38   38   37                                       
CONECT   27    8   21   19                                            
CONECT   28   11   58   59                                            
CONECT   29   20   60   61                                            
CONECT   30   25   62   63                                            
CONECT   31   11   12   12                                            
CONECT   32   17   17   15                                            
CONECT   33   18   10                                                 
CONECT   34    9   64                                                 
CONECT   35    7   65                                                 
CONECT   36   25   25                                                 
CONECT   37   26   66                                                 
CONECT   38   26   26                                                 
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
