COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.606   0.991  -0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       3.366  -1.948   0.479  1.00  0.00           C  
HETATM    3  C   UNL     1       5.020  -0.694   1.648  1.00  0.00           C  
HETATM    4  C   UNL     1       1.164   1.029  -1.896  1.00  0.00           C  
HETATM    5  C   UNL     1       2.376   3.504   1.309  1.00  0.00           C  
HETATM    6  C   UNL     1       3.315   3.162   0.348  1.00  0.00           C  
HETATM    7  C   UNL     1       2.917   2.351  -0.704  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.487  -0.978   0.605  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.707  -0.351   0.747  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.879   0.947   0.284  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.082   1.562   0.425  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.828   1.613  -0.333  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.428  -0.310  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.115  -0.982  -0.162  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.050  -0.320  -0.769  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.936  -2.226   0.282  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.767  -2.832   0.148  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.620  -4.124   0.622  1.00  0.00           N  
HETATM   19  N   UNL     1       0.266  -2.235  -0.428  1.00  0.00           N  
HETATM   20  C   UNL     1       0.164  -0.992  -0.891  1.00  0.00           C  
HETATM   21  N   UNL     1       1.252  -0.375  -1.488  1.00  0.00           N  
HETATM   22  C   UNL     1       1.607   1.912  -0.758  1.00  0.00           C  
HETATM   23  N   UNL     1       0.741   2.258   0.174  1.00  0.00           N  
HETATM   24  C   UNL     1       1.085   3.024   1.191  1.00  0.00           C  
HETATM   25  C   UNL     1       2.490  -1.126  -1.711  1.00  0.00           C  
HETATM   26  C   UNL     1       3.388  -0.983  -0.509  1.00  0.00           C  
HETATM   27  N   UNL     1       4.185   0.064  -0.412  1.00  0.00           N  
HETATM   28  C   UNL     1       4.987   0.231   0.621  1.00  0.00           C  
HETATM   29  C   UNL     1       4.195  -1.806   1.582  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.789   1.510  -0.957  1.00  0.00           H  
HETATM   31  H   UNL     1       2.707  -2.800   0.397  1.00  0.00           H  
HETATM   32  H   UNL     1       5.679  -0.551   2.491  1.00  0.00           H  
HETATM   33  H   UNL     1       1.809   1.198  -2.759  1.00  0.00           H  
HETATM   34  H   UNL     1       0.134   1.267  -2.161  1.00  0.00           H  
HETATM   35  H   UNL     1       2.651   4.135   2.141  1.00  0.00           H  
HETATM   36  H   UNL     1       4.331   3.520   0.416  1.00  0.00           H  
HETATM   37  H   UNL     1       3.622   2.064  -1.471  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.353  -1.988   0.965  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.527  -0.868   1.222  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.178   2.054   1.252  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.968   2.619  -0.700  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.163   0.690  -1.136  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.368  -4.573   1.046  1.00  0.00           H  
HETATM   44  H   UNL     1       0.231  -4.580   0.531  1.00  0.00           H  
HETATM   45  H   UNL     1       0.348   3.286   1.935  1.00  0.00           H  
HETATM   46  H   UNL     1       2.253  -2.179  -1.863  1.00  0.00           H  
HETATM   47  H   UNL     1       2.998  -0.736  -2.592  1.00  0.00           H  
HETATM   48  H   UNL     1       5.626   1.101   0.665  1.00  0.00           H  
HETATM   49  H   UNL     1       4.199  -2.545   2.369  1.00  0.00           H  
CONECT    1   13   13   12   30                                       
CONECT    2   26   26   29   31                                       
CONECT    3   29   29   28   32                                       
CONECT    4   21   22   33   34                                       
CONECT    5    6    6   24   35                                       
CONECT    6    7    5    5   36                                       
CONECT    7   22   22    6   37                                       
CONECT    8    9    9   13   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   40                                                 
CONECT   12   10   10    1   41                                       
CONECT   13    8   14    1    1                                       
CONECT   14   15   13   16   16                                       
CONECT   15   20   20   14   42                                       
CONECT   16   14   14   17                                            
CONECT   17   19   19   16   18                                       
CONECT   18   17   43   44                                            
CONECT   19   20   17   17                                            
CONECT   20   21   15   15   19                                       
CONECT   21   25    4   20                                            
CONECT   22    4    7    7   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23    5   45                                       
CONECT   25   26   21   46   47                                       
CONECT   26   25    2    2   27                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27    3   48                                       
CONECT   29    2    3    3   49                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
