COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.203   4.273   0.077  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.878   2.990  -0.333  1.00  0.00           C  
HETATM    3  C   UNL     1       2.567   2.366   0.882  1.00  0.00           C  
HETATM    4  C   UNL     1       3.137   1.024   0.502  1.00  0.00           C  
HETATM    5  C   UNL     1       4.334   0.793  -0.070  1.00  0.00           C  
HETATM    6  N   UNL     1       4.463  -0.531  -0.244  1.00  0.00           N1+
HETATM    7  C   UNL     1       3.391  -1.129   0.199  1.00  0.00           C  
HETATM    8  N   UNL     1       2.540  -0.196   0.678  1.00  0.00           N  
HETATM    9  C   UNL     1       1.224  -0.442   1.272  1.00  0.00           C  
HETATM   10  C   UNL     1       0.144  -0.294   0.198  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.230  -0.550   0.818  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.310  -0.403  -0.255  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.685  -0.660   0.365  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.765  -0.511  -0.709  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.140  -0.768  -0.088  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.220  -0.620  -1.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.574  -0.873  -0.551  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.295   0.175  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.537  -0.058   0.551  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.058  -1.338   0.570  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.337  -2.386   0.028  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.097  -2.153  -0.536  1.00  0.00           C  
HETATM   23  N   UNL     1       2.877   3.272  -1.371  1.00  0.00           N  
HETATM   24  O   UNL     1       1.734   5.335  -0.149  1.00  0.00           O  
HETATM   25  C   UNL     1       5.623  -1.200  -0.838  1.00  0.00           C  
HETATM   26  OXT UNL     1       0.008   4.238   0.688  1.00  0.00           O  
HETATM   27  HA  UNL     1       1.133   2.297  -0.724  1.00  0.00           H  
HETATM   28  H   UNL     1       3.372   3.020   1.219  1.00  0.00           H  
HETATM   29  H   UNL     1       1.842   2.238   1.686  1.00  0.00           H  
HETATM   30  H   UNL     1       5.063   1.542  -0.342  1.00  0.00           H  
HETATM   31  H   UNL     1       3.214  -2.194   0.187  1.00  0.00           H  
HETATM   32  H   UNL     1       1.193  -1.451   1.681  1.00  0.00           H  
HETATM   33  H   UNL     1       1.045   0.280   2.069  1.00  0.00           H  
HETATM   34  H   UNL     1       0.175   0.716  -0.212  1.00  0.00           H  
HETATM   35  H   UNL     1       0.324  -1.015  -0.600  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.261  -1.560   1.228  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.410   0.171   1.616  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.280   0.607  -0.665  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.131  -1.124  -1.053  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.716  -1.669   0.775  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.864   0.062   1.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.734   0.498  -1.118  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.586  -1.232  -1.506  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.170  -1.778   0.321  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.319  -0.047   0.709  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.189   0.389  -1.571  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.040  -1.341  -1.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.887   1.175  -0.024  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.099   0.761   0.975  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.028  -1.519   1.009  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.745  -3.386   0.043  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.536  -2.971  -0.963  1.00  0.00           H  
HETATM   53  H1  UNL     1       2.438   3.625  -2.209  1.00  0.00           H  
HETATM   54  H2  UNL     1       3.579   3.914  -1.033  1.00  0.00           H  
HETATM   55  C   UNL     1       6.630  -1.546   0.261  1.00  0.00           C  
HETATM   56  C   UNL     1       7.842  -2.244  -0.358  1.00  0.00           C  
HETATM   57  C   UNL     1       8.790  -2.701   0.752  1.00  0.00           C  
HETATM   58  O   UNL     1       9.862  -3.454   0.182  1.00  0.00           O  
HETATM   59  O   UNL     1       8.524  -1.335  -1.224  1.00  0.00           O  
HETATM   60  H   UNL     1       5.300  -2.114  -1.336  1.00  0.00           H  
HETATM   61  H   UNL     1       6.092  -0.536  -1.564  1.00  0.00           H  
HETATM   62  HXT UNL     1      -0.386   5.087   0.932  1.00  0.00           H  
HETATM   63  H   UNL     1       6.952  -0.631   0.759  1.00  0.00           H  
HETATM   64  H   UNL     1       6.160  -2.209   0.988  1.00  0.00           H  
HETATM   65  H   UNL     1       7.509  -3.110  -0.931  1.00  0.00           H  
HETATM   66  H   UNL     1       9.192  -1.829   1.268  1.00  0.00           H  
HETATM   67  H   UNL     1       8.245  -3.324   1.461  1.00  0.00           H  
HETATM   68  H   UNL     1      10.504  -3.777   0.830  1.00  0.00           H  
HETATM   69  H   UNL     1       8.849  -0.539  -0.780  1.00  0.00           H  
CONECT    1    2   24   24   26                                       
CONECT    2    1    3   23   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7    7   25                                       
CONECT    7    6    6    8   31                                       
CONECT    8    4    7    9                                            
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   38   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   46   47                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   48                                       
CONECT   19   18   20   20   49                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   22   51                                       
CONECT   22   17   21   21   52                                       
CONECT   23    2   53   54                                            
CONECT   24    1    1                                                 
CONECT   25    6   55   60   61                                       
CONECT   26    1   62                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   25   56   63   64                                       
CONECT   56   55   57   59   65                                       
CONECT   57   56   58   66   67                                       
CONECT   58   57   68                                                 
CONECT   59   56   69                                                 
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   55                                                      
CONECT   64   55                                                      
CONECT   65   56                                                      
CONECT   66   57                                                      
CONECT   67   57                                                      
CONECT   68   58                                                      
CONECT   69   59                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
