COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.297   1.092  -0.745  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.903   0.130  -1.821  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.360  -0.669   0.098  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.617  -1.338   2.033  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.323  -1.256  -0.725  1.00  0.00           C  
HETATM    6  C   UNL     1       1.458   0.475  -0.178  1.00  0.00           C  
HETATM    7  C   UNL     1       2.740   0.933   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1       3.484  -1.312  -0.166  1.00  0.00           C  
HETATM    9  C   UNL     1       5.184  -2.672   1.086  1.00  0.00           C  
HETATM   10  C   UNL     1       7.055  -3.571  -0.094  1.00  0.00           C  
HETATM   11  N   UNL     1       4.558   4.147   0.677  1.00  0.00           N  
HETATM   12  C   UNL     1       4.325   2.793   0.568  1.00  0.00           C  
HETATM   13  N   UNL     1       5.312   1.949   0.697  1.00  0.00           N  
HETATM   14  C   UNL     1       2.960   2.297   0.304  1.00  0.00           C  
HETATM   15  C   UNL     1       1.883   3.186   0.289  1.00  0.00           C  
HETATM   16  C   UNL     1       0.610   2.721   0.043  1.00  0.00           C  
HETATM   17  C   UNL     1       0.394   1.367  -0.197  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.896   0.904  -0.445  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.022   1.841  -0.454  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.157   0.618   0.182  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.185   0.002  -0.496  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.751   0.801  -1.934  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.515  -0.715   1.484  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.568  -1.918   1.211  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.420  -1.876  -0.164  1.00  0.00           C  
HETATM   26  O   UNL     1       3.782   0.063   0.082  1.00  0.00           O  
HETATM   27  C   UNL     1       4.754  -2.120  -0.111  1.00  0.00           C  
HETATM   28  C   UNL     1       6.359  -3.409   1.089  1.00  0.00           C  
HETATM   29  N   UNL     1       6.619  -3.026  -1.213  1.00  0.00           N  
HETATM   30  C   UNL     1       5.506  -2.320  -1.253  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.505  -0.242  -2.638  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.738  -1.374   3.105  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.209  -1.224  -1.798  1.00  0.00           H  
HETATM   34  H   UNL     1       1.286  -0.576  -0.361  1.00  0.00           H  
HETATM   35  H   UNL     1       2.789  -1.675   0.592  1.00  0.00           H  
HETATM   36  H   UNL     1       3.031  -1.413  -1.152  1.00  0.00           H  
HETATM   37  H   UNL     1       4.619  -2.529   1.995  1.00  0.00           H  
HETATM   38  H   UNL     1       7.971  -4.143  -0.100  1.00  0.00           H  
HETATM   39  H   UNL     1       3.824   4.775   0.581  1.00  0.00           H  
HETATM   40  H   UNL     1       5.455   4.473   0.850  1.00  0.00           H  
HETATM   41  H   UNL     1       5.163   1.002   0.548  1.00  0.00           H  
HETATM   42  H   UNL     1       2.048   4.238   0.471  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.221   3.410   0.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.049  -0.039  -0.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.860   2.596  -1.224  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.099   2.326   0.519  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.067   0.696   1.145  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.773  -0.263   2.127  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.428  -2.405   1.645  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.166  -2.330  -0.800  1.00  0.00           H  
HETATM   51  H   UNL     1       6.726  -3.849   2.004  1.00  0.00           H  
HETATM   52  H   UNL     1       5.181  -1.889  -2.189  1.00  0.00           H  
CONECT    1   19   22   22   20                                       
CONECT    2   22   21   21   31                                       
CONECT    3   21    5    5   23                                       
CONECT    4   23   23   24   32                                       
CONECT    5    3    3   25   33                                       
CONECT    6    7    7   17   34                                       
CONECT    7   14   26    6    6                                       
CONECT    8   26   27   35   36                                       
CONECT    9   27   27   28   37                                       
CONECT   10   29   28   28   38                                       
CONECT   11   12   39   40                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12   41                                            
CONECT   14   12   15   15    7                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16    6   18                                       
CONECT   18   17   19   44                                            
CONECT   19   18    1   45   46                                       
CONECT   20    1   21   47                                            
CONECT   21    2    2   20    3                                       
CONECT   22    1    1    2                                            
CONECT   23    3    4    4   48                                       
CONECT   24   25   25    4   49                                       
CONECT   25    5   24   24   50                                       
CONECT   26    7    8                                                 
CONECT   27   30    8    9    9                                       
CONECT   28   10   10    9   51                                       
CONECT   29   30   30   10                                            
CONECT   30   29   29   27   52                                       
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
