COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.779   0.675   0.520  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.916   2.029   0.882  1.00  0.00           C  
HETATM    3  C   UNL     1       0.068   2.939   0.563  1.00  0.00           C  
HETATM    4  C   UNL     1       0.356   0.247  -0.159  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.025   2.440   1.549  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.838  -0.291   0.866  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.324  -1.124  -0.076  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.273  -0.335   2.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.353   1.167  -0.482  1.00  0.00           C  
HETATM   10  C   UNL     1       1.207   2.523  -0.122  1.00  0.00           C  
HETATM   11  N   UNL     1       2.328   3.171  -0.568  1.00  0.00           N  
HETATM   12  N   UNL     1       3.167   2.252  -1.204  1.00  0.00           N  
HETATM   13  C   UNL     1       2.638   1.063  -1.171  1.00  0.00           C  
HETATM   14  C   UNL     1       3.237  -0.193  -1.750  1.00  0.00           C  
HETATM   15  C   UNL     1       4.091  -0.868  -0.708  1.00  0.00           C  
HETATM   16  C   UNL     1       3.533  -1.804   0.143  1.00  0.00           C  
HETATM   17  C   UNL     1       5.658  -2.108   1.203  1.00  0.00           C  
HETATM   18  C   UNL     1       6.218  -1.177   0.348  1.00  0.00           C  
HETATM   19  C   UNL     1       4.316  -2.423   1.099  1.00  0.00           C  
HETATM   20  C   UNL     1       5.434  -0.557  -0.608  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.732  -1.139  -1.416  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.442  -2.015   0.242  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.743  -1.318  -0.065  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.366  -0.558   0.907  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.128  -0.038  -0.628  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.502  -0.793  -1.602  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.559   0.081   0.626  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.309  -1.433  -1.321  1.00  0.00           C  
HETATM   29  C   UNL     1       7.681  -0.833   0.462  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.044   3.976   0.844  1.00  0.00           H  
HETATM   31  H   UNL     1       0.465  -0.792  -0.433  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.944   2.394   2.511  1.00  0.00           H  
HETATM   33  H   UNL     1       2.510   4.118  -0.460  1.00  0.00           H  
HETATM   34  H   UNL     1       2.439  -0.868  -2.058  1.00  0.00           H  
HETATM   35  H   UNL     1       3.851   0.062  -2.614  1.00  0.00           H  
HETATM   36  H   UNL     1       2.484  -2.050   0.062  1.00  0.00           H  
HETATM   37  H   UNL     1       6.270  -2.592   1.950  1.00  0.00           H  
HETATM   38  H   UNL     1       3.880  -3.153   1.764  1.00  0.00           H  
HETATM   39  H   UNL     1       5.871   0.170  -1.276  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.959  -1.906  -1.463  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.506  -1.358  -2.152  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.293  -0.165  -1.630  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.366  -2.922  -0.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.411  -2.276   1.300  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.921  -0.465   1.887  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.060   0.461  -0.848  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.944  -0.882  -2.584  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.046   0.673   1.386  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.819  -2.022  -2.082  1.00  0.00           H  
HETATM   50  H   UNL     1       8.261  -1.498  -0.177  1.00  0.00           H  
HETATM   51  H   UNL     1       7.837   0.199   0.148  1.00  0.00           H  
HETATM   52  H   UNL     1       8.002  -0.951   1.497  1.00  0.00           H  
CONECT    1    2    2    4    6                                       
CONECT    2    3    5    1    1                                       
CONECT    3   10   10    2   30                                       
CONECT    4    9    9    1   31                                       
CONECT    5    2   32                                                 
CONECT    6    1    7    8    8                                       
CONECT    7   22    6   21                                            
CONECT    8    6    6                                                 
CONECT    9   13   10    4    4                                       
CONECT   10   11    3    3    9                                       
CONECT   11   12   10   33                                            
CONECT   12   11   13   13                                            
CONECT   13   12   12   14    9                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   19   19   36                                       
CONECT   17   18   18   19   37                                       
CONECT   18   20   29   17   17                                       
CONECT   19   16   16   17   38                                       
CONECT   20   15   15   18   39                                       
CONECT   21    7   40   41   42                                       
CONECT   22   23    7   43   44                                       
CONECT   23   24   22   28   28                                       
CONECT   24   27   27   23   45                                       
CONECT   25   27   26   26   46                                       
CONECT   26   25   25   28   47                                       
CONECT   27   24   24   25   48                                       
CONECT   28   23   23   26   49                                       
CONECT   29   18   50   51   52                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
