COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.954  -2.177   1.074  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.061  -0.814   0.748  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.161  -0.775   1.681  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.036  -2.790   1.728  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.111  -1.602   0.086  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.523   0.841  -0.392  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.711   0.562  -1.807  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.816   1.183  -2.700  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.078   1.012  -1.819  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.340   1.137  -2.169  1.00  0.00           C  
HETATM   11  C   UNL     1       0.640   0.912   0.033  1.00  0.00           C  
HETATM   12  C   UNL     1       0.747   2.437   0.095  1.00  0.00           C  
HETATM   13  CA  UNL     1       0.823   2.884   1.556  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.438   2.555   2.234  1.00  0.00           N  
HETATM   15  C   UNL     1       2.031   0.702  -1.938  1.00  0.00           C  
HETATM   16  C   UNL     1       3.020  -0.299  -1.339  1.00  0.00           C  
HETATM   17  C   UNL     1       4.429   0.004  -1.855  1.00  0.00           C  
HETATM   18  C   UNL     1       5.403  -0.982  -1.265  1.00  0.00           C  
HETATM   19  C   UNL     1       6.026  -0.700  -0.066  1.00  0.00           C  
HETATM   20  C   UNL     1       6.928  -1.615   0.479  1.00  0.00           C  
HETATM   21  C   UNL     1       7.195  -2.809  -0.193  1.00  0.00           C  
HETATM   22  C   UNL     1       6.566  -3.077  -1.391  1.00  0.00           C  
HETATM   23  C   UNL     1       5.668  -2.169  -1.923  1.00  0.00           C  
HETATM   24  C   UNL     1       7.600  -1.320   1.763  1.00  0.00           C  
HETATM   25  C   UNL     1       1.051   4.373   1.614  1.00  0.00           C  
HETATM   26  N   UNL     1       0.697   0.473  -1.368  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.988  -4.129   2.074  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.172  -0.159   1.068  1.00  0.00           N  
HETATM   29  N   UNL     1       8.471  -2.205   2.287  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.107  -2.053   2.007  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.742  -2.597   0.639  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.884  -0.480   0.128  1.00  0.00           N  
HETATM   33  O   UNL     1      -2.092   0.960  -0.473  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.947   0.461  -3.925  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.808  -0.151  -2.214  1.00  0.00           O  
HETATM   36  O   UNL     1       7.366  -0.279   2.346  1.00  0.00           O  
HETATM   37  O   UNL     1       0.124   5.119   1.824  1.00  0.00           O  
HETATM   38  OXT UNL     1       2.285   4.870   1.433  1.00  0.00           O  
HETATM   39  H   UNL     1      -8.051  -0.213   1.926  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.122  -1.658  -0.343  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.924   1.620   0.257  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.707  -0.524  -1.900  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.615   2.237  -2.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.711   1.897  -1.879  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.144   0.969  -3.228  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.328   2.207  -1.963  1.00  0.00           H  
HETATM   47  H   UNL     1       1.467   0.467   0.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.305   0.596   0.475  1.00  0.00           H  
HETATM   49  H   UNL     1       1.646   2.759  -0.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.129   2.882  -0.377  1.00  0.00           H  
HETATM   51  HA  UNL     1       1.647   2.370   2.051  1.00  0.00           H  
HETATM   52  H1  UNL     1      -0.390   2.782   3.216  1.00  0.00           H  
HETATM   53  H2  UNL     1      -1.218   3.020   1.793  1.00  0.00           H  
HETATM   54  H   UNL     1       2.355   1.717  -1.707  1.00  0.00           H  
HETATM   55  H   UNL     1       1.991   0.571  -3.019  1.00  0.00           H  
HETATM   56  H   UNL     1       3.007  -0.217  -0.252  1.00  0.00           H  
HETATM   57  H   UNL     1       2.737  -1.310  -1.631  1.00  0.00           H  
HETATM   58  H   UNL     1       4.442  -0.077  -2.942  1.00  0.00           H  
HETATM   59  H   UNL     1       4.713   1.015  -1.563  1.00  0.00           H  
HETATM   60  H   UNL     1       5.816   0.225   0.449  1.00  0.00           H  
HETATM   61  H   UNL     1       7.893  -3.520   0.223  1.00  0.00           H  
HETATM   62  H   UNL     1       6.772  -4.001  -1.912  1.00  0.00           H  
HETATM   63  H   UNL     1       5.174  -2.386  -2.859  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.201  -4.656   1.865  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.742  -4.541   2.525  1.00  0.00           H  
HETATM   66  H   UNL     1       8.657  -3.035   1.822  1.00  0.00           H  
HETATM   67  H   UNL     1       8.911  -2.011   3.129  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.626   0.812  -4.518  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.181  -0.098  -3.105  1.00  0.00           H  
HETATM   70  HXT UNL     1       2.382   5.831   1.480  1.00  0.00           H  
CONECT    1   31    4    4    2                                       
CONECT    2    1   32   28   28                                       
CONECT    3   30   30   28   39                                       
CONECT    4   27    1    1   30                                       
CONECT    5   31   31   32   40                                       
CONECT    6   32    9   33   41                                       
CONECT    7    8   33   10   42                                       
CONECT    8    9    7   34   43                                       
CONECT    9    6   35    8   44                                       
CONECT   10    7   26   45   46                                       
CONECT   11   26   12   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   25   51                                       
CONECT   14   13   52   53                                            
CONECT   15   16   26   54   55                                       
CONECT   16   17   15   56   57                                       
CONECT   17   18   16   58   59                                       
CONECT   18   19   17   23   23                                       
CONECT   19   20   20   18   60                                       
CONECT   20   24   19   19   21                                       
CONECT   21   20   22   22   61                                       
CONECT   22   21   21   23   62                                       
CONECT   23   18   18   22   63                                       
CONECT   24   29   36   36   20                                       
CONECT   25   13   37   37   38                                       
CONECT   26   10   15   11                                            
CONECT   27    4   64   65                                            
CONECT   28    2    2    3                                            
CONECT   29   24   66   67                                            
CONECT   30    4    3    3                                            
CONECT   31    5    5    1                                            
CONECT   32    5    2    6                                            
CONECT   33    6    7                                                 
CONECT   34    8   68                                                 
CONECT   35    9   69                                                 
CONECT   36   24   24                                                 
CONECT   37   25   25                                                 
CONECT   38   25   70                                                 
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
