COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.851   3.511   0.338  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.318   3.065   0.148  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.204   1.624  -0.397  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.547   0.667  -0.334  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.469   0.872  -1.577  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.545  -0.556   0.235  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.203  -0.243   0.511  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.176  -0.021   1.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.024   2.288  -0.115  1.00  0.00           C  
HETATM   10  C   UNL     1       1.215   2.125   0.767  1.00  0.00           C  
HETATM   11  C   UNL     1       3.421   1.128   0.717  1.00  0.00           C  
HETATM   12  C   UNL     1       4.102   2.270  -0.040  1.00  0.00           C  
HETATM   13  CA  UNL     1       5.587   2.311   0.326  1.00  0.00           C  
HETATM   14  C   UNL     1       6.282   3.354  -0.510  1.00  0.00           C  
HETATM   15  C   UNL     1       1.454  -0.283   0.678  1.00  0.00           C  
HETATM   16  C   UNL     1       2.196  -1.418  -0.031  1.00  0.00           C  
HETATM   17  C   UNL     1       1.599  -2.761   0.395  1.00  0.00           C  
HETATM   18  C   UNL     1       2.341  -3.896  -0.314  1.00  0.00           C  
HETATM   19  C   UNL     1       1.744  -5.239   0.111  1.00  0.00           C  
HETATM   20  C   UNL     1       2.091  -7.632  -0.339  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.270   0.784   0.155  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.213   1.195  -1.356  1.00  0.00           N  
HETATM   23  N   UNL     1      -7.128   0.022  -0.810  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.243  -1.446   1.033  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.311  -0.624   1.457  1.00  0.00           N  
HETATM   26  N   UNL     1       2.027   1.007   0.270  1.00  0.00           N  
HETATM   27  N   UNL     1       5.731   2.647   1.749  1.00  0.00           N  
HETATM   28  N   UNL     1       2.455  -6.326  -0.567  1.00  0.00           N  
HETATM   29  N   UNL     1       2.758  -8.652  -0.976  1.00  0.00           N  
HETATM   30  N   UNL     1       1.114  -7.904   0.480  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.562   4.644  -0.484  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.979   3.908  -0.797  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.912   1.161   0.051  1.00  0.00           O  
HETATM   34  O   UNL     1       6.521   4.442  -0.043  1.00  0.00           O  
HETATM   35  OXT UNL     1       6.636   3.074  -1.775  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.654   3.741   1.385  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.845   3.072   1.102  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.249   1.627  -1.487  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.981   1.319  -2.416  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.290  -0.143   1.856  1.00  0.00           H  
HETATM   41  H   UNL     1       0.265   2.391  -1.161  1.00  0.00           H  
HETATM   42  H   UNL     1       1.803   3.042   0.740  1.00  0.00           H  
HETATM   43  H   UNL     1       0.906   1.921   1.793  1.00  0.00           H  
HETATM   44  H   UNL     1       3.949   0.195   0.520  1.00  0.00           H  
HETATM   45  H   UNL     1       3.442   1.338   1.787  1.00  0.00           H  
HETATM   46  H   UNL     1       3.996   2.108  -1.113  1.00  0.00           H  
HETATM   47  H   UNL     1       3.634   3.216   0.232  1.00  0.00           H  
HETATM   48  HA  UNL     1       6.035   1.335   0.136  1.00  0.00           H  
HETATM   49  H   UNL     1       0.398  -0.314   0.406  1.00  0.00           H  
HETATM   50  H   UNL     1       1.555  -0.400   1.757  1.00  0.00           H  
HETATM   51  H   UNL     1       2.095  -1.301  -1.109  1.00  0.00           H  
HETATM   52  H   UNL     1       3.251  -1.387   0.241  1.00  0.00           H  
HETATM   53  H   UNL     1       1.700  -2.878   1.474  1.00  0.00           H  
HETATM   54  H   UNL     1       0.544  -2.792   0.123  1.00  0.00           H  
HETATM   55  H   UNL     1       2.240  -3.779  -1.393  1.00  0.00           H  
HETATM   56  H   UNL     1       3.396  -3.865  -0.042  1.00  0.00           H  
HETATM   57  H   UNL     1       1.845  -5.357   1.190  1.00  0.00           H  
HETATM   58  H   UNL     1       0.689  -5.270  -0.160  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.169  -1.654   0.831  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.807  -1.861   1.793  1.00  0.00           H  
HETATM   61  H1  UNL     1       5.323   3.548   1.950  1.00  0.00           H  
HETATM   62  H2  UNL     1       5.329   1.929   2.333  1.00  0.00           H  
HETATM   63  H   UNL     1       3.182  -6.124  -1.176  1.00  0.00           H  
HETATM   64  H   UNL     1       3.485  -8.450  -1.585  1.00  0.00           H  
HETATM   65  H   UNL     1       2.502  -9.574  -0.815  1.00  0.00           H  
HETATM   66  H   UNL     1       0.858  -8.825   0.640  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.096   5.424  -0.282  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.025   4.837  -0.532  1.00  0.00           H  
HETATM   69  HXT UNL     1       7.079   3.775  -2.272  1.00  0.00           H  
CONECT    1    9    2   31   36                                       
CONECT    2    1    3   32   37                                       
CONECT    3   33    2   21   38                                       
CONECT    4   21    7    7   22                                       
CONECT    5   22   22   23   39                                       
CONECT    6    7   24   23   23                                       
CONECT    7   25    4    4    6                                       
CONECT    8   25   25   21   40                                       
CONECT    9   10   33    1   41                                       
CONECT   10   26    9   42   43                                       
CONECT   11   26   12   44   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   27   14   48                                       
CONECT   14   13   34   34   35                                       
CONECT   15   16   26   49   50                                       
CONECT   16   17   15   51   52                                       
CONECT   17   18   16   53   54                                       
CONECT   18   19   17   55   56                                       
CONECT   19   28   18   57   58                                       
CONECT   20   30   30   28   29                                       
CONECT   21    8    3    4                                            
CONECT   22    4    5    5                                            
CONECT   23    6    6    5                                            
CONECT   24    6   59   60                                            
CONECT   25    8    8    7                                            
CONECT   26   15   10   11                                            
CONECT   27   13   61   62                                            
CONECT   28   20   19   63                                            
CONECT   29   20   64   65                                            
CONECT   30   20   20   66                                            
CONECT   31    1   67                                                 
CONECT   32    2   68                                                 
CONECT   33    9    3                                                 
CONECT   34   14   14                                                 
CONECT   35   14   69                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
