COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.363  -1.375  -0.255  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.673  -0.343   0.517  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.041   1.312  -0.508  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.393   1.940  -0.731  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.233   3.210  -1.570  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.569   0.496   0.562  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.276  -2.214   1.073  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.176  -1.381   1.125  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.936   0.176   0.210  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.720  -2.614   0.715  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.048   1.829  -0.974  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.205   0.820   0.919  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.523  -1.701   0.770  1.00  0.00           C  
HETATM   14  N   UNL     1       1.336  -4.758  -0.876  1.00  0.00           N  
HETATM   15  C   UNL     1       1.978  -3.825  -0.789  1.00  0.00           C  
HETATM   16  C   UNL     1       2.787  -2.649  -0.680  1.00  0.00           C  
HETATM   17  C   UNL     1       4.160  -2.545  -0.979  1.00  0.00           C  
HETATM   18  N   UNL     1       4.545  -1.317  -0.757  1.00  0.00           N  
HETATM   19  N   UNL     1       3.458  -0.559  -0.306  1.00  0.00           N  
HETATM   20  N   UNL     1       1.181  -0.910   0.149  1.00  0.00           N  
HETATM   21  C   UNL     1       3.344   0.758   0.058  1.00  0.00           C  
HETATM   22  N   UNL     1       4.439   1.593   0.011  1.00  0.00           N  
HETATM   23  C   UNL     1       4.305   2.999   0.402  1.00  0.00           C  
HETATM   24  C   UNL     1       5.563   3.719   0.892  1.00  0.00           C  
HETATM   25  C   UNL     1       4.981   4.046  -0.485  1.00  0.00           C  
HETATM   26  C   UNL     1       2.129   1.231   0.466  1.00  0.00           C  
HETATM   27  C   UNL     1       1.033   0.357   0.507  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.319  -0.023   0.867  1.00  0.00           C  
HETATM   29  H   UNL     1      -7.038   1.236  -1.256  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.838   2.194   0.231  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.787   2.955  -2.532  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.211   3.664  -1.731  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.588   3.914  -1.045  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.683   1.551   0.361  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.162  -3.270   1.269  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.203  -1.786   1.362  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.735  -0.281   0.514  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.183  -2.666   1.701  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.441  -2.225  -0.004  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.404  -3.611   0.409  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.300   1.729   1.243  1.00  0.00           H  
HETATM   42  H   UNL     1       4.790  -3.348  -1.332  1.00  0.00           H  
HETATM   43  H   UNL     1       5.298   1.251  -0.280  1.00  0.00           H  
HETATM   44  H   UNL     1       3.356   3.270   0.866  1.00  0.00           H  
HETATM   45  H   UNL     1       5.442   4.463   1.679  1.00  0.00           H  
HETATM   46  H   UNL     1       6.490   3.146   0.925  1.00  0.00           H  
HETATM   47  H   UNL     1       5.526   3.690  -1.359  1.00  0.00           H  
HETATM   48  H   UNL     1       4.478   5.006  -0.604  1.00  0.00           H  
HETATM   49  H   UNL     1       2.014   2.265   0.757  1.00  0.00           H  
CONECT    1   19   20   16   16                                       
CONECT    2   13   13    6    9                                       
CONECT    3    9    4   11   11                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4   31   32   33                                       
CONECT    6   28   28    2   34                                       
CONECT    7    8    8   13   35                                       
CONECT    8    7    7   28   36                                       
CONECT    9    2    3   37                                            
CONECT   10   13   38   39   40                                       
CONECT   11    3    3                                                 
CONECT   12   28   27   41                                            
CONECT   13    7   10    2    2                                       
CONECT   14   15   15   15                                            
CONECT   15   16   14   14   14                                       
CONECT   16    1    1   17   15                                       
CONECT   17   18   18   16   42                                       
CONECT   18   19   17   17                                            
CONECT   19   21   18    1                                            
CONECT   20   27   27    1                                            
CONECT   21   22   26   26   19                                       
CONECT   22   23   21   43                                            
CONECT   23   25   24   22   44                                       
CONECT   24   25   23   45   46                                       
CONECT   25   24   23   47   48                                       
CONECT   26   21   21   27   49                                       
CONECT   27   26   12   20   20                                       
CONECT   28    8   12    6    6                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   17                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
