COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.344   0.168   0.408  1.00  0.00           C  
HETATM    2  N   UNL     1       1.502   1.467   0.730  1.00  0.00           N  
HETATM    3  C   UNL     1       0.520   2.162   1.578  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.441   0.259   0.497  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.067  -1.051   1.680  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.720  -1.340   0.495  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.245  -0.835  -0.704  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.095  -0.026  -0.714  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.583   0.514  -1.975  1.00  0.00           C  
HETATM   10  C   UNL     1       2.160   3.531  -0.386  1.00  0.00           C  
HETATM   11  C   UNL     1       2.665   2.231   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       2.278  -0.477  -0.540  1.00  0.00           C  
HETATM   13  C   UNL     1       3.375  -0.574  -2.661  1.00  0.00           C  
HETATM   14  C   UNL     1       4.013  -1.723  -2.231  1.00  0.00           C  
HETATM   15  C   UNL     1       2.754  -2.237   1.186  1.00  0.00           C  
HETATM   16  C   UNL     1       1.551  -3.182   1.147  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.712   1.276   1.770  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.935  -0.257   1.684  1.00  0.00           C  
HETATM   19  C   UNL     1       0.116   3.465   0.880  1.00  0.00           C  
HETATM   20  C   UNL     1       2.491   0.069  -1.811  1.00  0.00           C  
HETATM   21  C   UNL     1       2.965  -1.637  -0.181  1.00  0.00           C  
HETATM   22  N   UNL     1       3.796  -2.212  -1.025  1.00  0.00           N  
HETATM   23  O   UNL     1       0.438  -0.475   0.900  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.327   1.033   0.503  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.888  -1.119  -1.864  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.152   0.264  -3.017  1.00  0.00           O  
HETATM   27  O   UNL     1       1.293   4.201   0.538  1.00  0.00           O  
HETATM   28  O   UNL     1       1.351  -3.752   2.442  1.00  0.00           O  
HETATM   29  H   UNL     1       0.966   2.387   2.547  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.444  -1.449   2.610  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.602  -1.961   0.506  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.700   1.135  -1.977  1.00  0.00           H  
HETATM   33  H   UNL     1       3.008   4.173  -0.623  1.00  0.00           H  
HETATM   34  H   UNL     1       1.611   3.300  -1.299  1.00  0.00           H  
HETATM   35  H   UNL     1       3.323   2.463   1.088  1.00  0.00           H  
HETATM   36  H   UNL     1       3.207   1.645  -0.492  1.00  0.00           H  
HETATM   37  H   UNL     1       3.564  -0.181  -3.649  1.00  0.00           H  
HETATM   38  H   UNL     1       4.703  -2.226  -2.892  1.00  0.00           H  
HETATM   39  H   UNL     1       2.569  -1.442   1.907  1.00  0.00           H  
HETATM   40  H   UNL     1       3.644  -2.794   1.479  1.00  0.00           H  
HETATM   41  H   UNL     1       0.661  -2.626   0.853  1.00  0.00           H  
HETATM   42  H   UNL     1       1.737  -3.978   0.425  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.413   0.328   2.216  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.422   1.779   2.428  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.434  -0.039   2.615  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.445   3.234  -0.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.504   4.060   1.551  1.00  0.00           H  
HETATM   48  H   UNL     1       1.979   0.968  -2.121  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.578  -0.483  -2.097  1.00  0.00           H  
HETATM   50  H   UNL     1       0.603  -4.363   2.492  1.00  0.00           H  
CONECT    1   12   23   23    2                                       
CONECT    2    1    3   11                                            
CONECT    3   17    2   19   29                                       
CONECT    4    8    8   24   18                                       
CONECT    5    6   18   18   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8   25    6    6                                       
CONECT    8    9    4    4    7                                       
CONECT    9   26   26    8   32                                       
CONECT   10   11   27   33   34                                       
CONECT   11    2   10   35   36                                       
CONECT   12   20   20   21    1                                       
CONECT   13   14   14   20   37                                       
CONECT   14   13   13   22   38                                       
CONECT   15   21   16   39   40                                       
CONECT   16   15   28   41   42                                       
CONECT   17   24    3   43   44                                       
CONECT   18    4    5    5   45                                       
CONECT   19    3   27   46   47                                       
CONECT   20   13   12   12   48                                       
CONECT   21   22   22   12   15                                       
CONECT   22   14   21   21                                            
CONECT   23    1    1                                                 
CONECT   24    4   17                                                 
CONECT   25    7   49                                                 
CONECT   26    9    9                                                 
CONECT   27   19   10                                                 
CONECT   28   16   50                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
