COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.586  -0.240  -0.423  1.00  0.00           N  
HETATM    2  CA  UNL     1       3.238  -1.535  -0.638  1.00  0.00           C  
HETATM    3  C   UNL     1       3.062  -2.396   0.586  1.00  0.00           C  
HETATM    4  O   UNL     1       2.454  -1.972   1.540  1.00  0.00           O  
HETATM    5  OXT UNL     1       3.580  -3.634   0.616  1.00  0.00           O  
HETATM    6  C   UNL     1       4.908  -0.343  -2.065  1.00  0.00           C  
HETATM    7  C   UNL     1       4.730  -1.317  -0.898  1.00  0.00           C  
HETATM    8  O   UNL     1       5.344  -0.775   0.273  1.00  0.00           O  
HETATM    9  C   UNL     1       6.694  -1.200   0.471  1.00  0.00           C  
HETATM   10  C   UNL     1       7.519  -0.875  -0.775  1.00  0.00           C  
HETATM   11  C   UNL     1       7.286  -0.471   1.679  1.00  0.00           C  
HETATM   12  C   UNL     1       6.722  -2.709   0.722  1.00  0.00           C  
HETATM   13  C   UNL     1       1.269  -0.099  -0.672  1.00  0.00           C  
HETATM   14  O   UNL     1       0.623  -1.045  -1.080  1.00  0.00           O  
HETATM   15  C   UNL     1       0.612   1.203  -0.449  1.00  0.00           C  
HETATM   16  C   UNL     1       1.367   2.299  -0.068  1.00  0.00           C  
HETATM   17  C   UNL     1       0.737   3.534   0.142  1.00  0.00           C  
HETATM   18  C   UNL     1       1.474   4.668   0.529  1.00  0.00           C  
HETATM   19  C   UNL     1       0.834   5.853   0.724  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.544   5.962   0.548  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.291   4.887   0.174  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.667   3.645  -0.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.411   2.519  -0.425  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.784   1.324  -0.631  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.529   0.211  -1.020  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.741  -0.012  -0.475  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.212   0.789   0.309  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.431  -1.124  -0.799  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.716  -1.325  -0.283  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.795  -1.476  -1.143  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.585  -1.423  -2.635  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.062  -1.674  -0.631  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.257  -1.723   0.737  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.641  -1.940   1.293  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.184  -1.574   1.597  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.913  -1.380   1.090  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.744  -1.223   2.027  1.00  0.00           C  
HETATM   38  H   UNL     1       3.102   0.514  -0.097  1.00  0.00           H  
HETATM   39  HA  UNL     1       2.788  -2.030  -1.498  1.00  0.00           H  
HETATM   40  HXT UNL     1       3.441  -4.148   1.423  1.00  0.00           H  
HETATM   41  H   UNL     1       4.501  -0.786  -2.974  1.00  0.00           H  
HETATM   42  H   UNL     1       4.381   0.586  -1.846  1.00  0.00           H  
HETATM   43  H   UNL     1       5.968  -0.134  -2.205  1.00  0.00           H  
HETATM   44  H   UNL     1       5.198  -2.270  -1.146  1.00  0.00           H  
HETATM   45  H   UNL     1       7.506   0.201  -0.950  1.00  0.00           H  
HETATM   46  H   UNL     1       8.547  -1.206  -0.627  1.00  0.00           H  
HETATM   47  H   UNL     1       7.093  -1.388  -1.637  1.00  0.00           H  
HETATM   48  H   UNL     1       6.698  -0.702   2.567  1.00  0.00           H  
HETATM   49  H   UNL     1       8.315  -0.794   1.831  1.00  0.00           H  
HETATM   50  H   UNL     1       7.265   0.604   1.500  1.00  0.00           H  
HETATM   51  H   UNL     1       6.300  -3.228  -0.138  1.00  0.00           H  
HETATM   52  H   UNL     1       7.752  -3.033   0.874  1.00  0.00           H  
HETATM   53  H   UNL     1       6.134  -2.940   1.610  1.00  0.00           H  
HETATM   54  H   UNL     1       2.434   2.204   0.067  1.00  0.00           H  
HETATM   55  H   UNL     1       2.542   4.598   0.670  1.00  0.00           H  
HETATM   56  H   UNL     1       1.403   6.722   1.021  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.027   6.914   0.710  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.358   4.987   0.042  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.479   2.599  -0.564  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.174  -0.402  -1.683  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.036  -1.784  -1.390  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.461  -2.435  -3.020  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.449  -0.956  -3.108  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.691  -0.838  -2.855  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.903  -1.792  -1.300  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.821  -3.008   1.413  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.724  -1.447   2.261  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.377  -1.522   0.607  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.339  -1.613   2.665  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.688  -0.189   2.368  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.875  -1.882   2.886  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.823  -1.484   1.506  1.00  0.00           H  
CONECT    1    2   13   38                                            
CONECT    2    1    3    7   39                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   40                                                 
CONECT    6    7   41   42   43                                       
CONECT    7    2    6    8   44                                       
CONECT    8    7    9                                                 
CONECT    9    8   11   12   10                                       
CONECT   10    9   45   46   47                                       
CONECT   11    9   48   49   50                                       
CONECT   12    9   51   52   53                                       
CONECT   13    1   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   24                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   55                                       
CONECT   19   18   20   20   56                                       
CONECT   20   19   19   21   57                                       
CONECT   21   20   22   22   58                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   24   59                                       
CONECT   24   15   23   23   25                                       
CONECT   25   24   26   60                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   61                                            
CONECT   29   28   30   30   36                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   62   63   64                                       
CONECT   32   30   33   33   65                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   66   67   68                                       
CONECT   35   33   36   36   69                                       
CONECT   36   29   35   35   37                                       
CONECT   37   36   70   71   72                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
