COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       0.412   3.772  -1.231  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.530  -0.553  -0.087  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.497   0.136  -0.718  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.455  -0.562  -1.294  1.00  0.00           C  
HETATM    5  C   UNL     1       0.720  -0.248  -3.443  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.504  -1.947  -0.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.457  -2.638  -0.617  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.435  -1.947  -1.247  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.652   0.193   0.533  1.00  0.00           C  
HETATM   10  C   UNL     1       0.863   2.477  -1.118  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.677   1.541   1.652  1.00  0.00           C  
HETATM   12  C   UNL     1       4.717   1.830   0.957  1.00  0.00           C  
HETATM   13  C   UNL     1       4.340   0.402   1.255  1.00  0.00           C  
HETATM   14  C   UNL     1       3.137  -0.249   0.898  1.00  0.00           C  
HETATM   15  C   UNL     1       3.285  -1.503   1.388  1.00  0.00           C  
HETATM   16  O   UNL     1       4.488  -1.541   1.977  1.00  0.00           O  
HETATM   17  N   UNL     1       5.060  -0.479   1.888  1.00  0.00           N  
HETATM   18  C   UNL     1       2.292  -2.632   1.291  1.00  0.00           C  
HETATM   19  C   UNL     1       1.962   0.321   0.145  1.00  0.00           C  
HETATM   20  C   UNL     1       1.980  -0.183  -1.304  1.00  0.00           C  
HETATM   21  C   UNL     1       0.663   0.183  -1.976  1.00  0.00           C  
HETATM   22  N   UNL     1       0.378   1.600  -1.914  1.00  0.00           N  
HETATM   23  S   UNL     1       2.077   2.130   0.107  1.00  0.00           S  
HETATM   24  F   UNL     1       0.587  -2.625  -1.812  1.00  0.00           F  
HETATM   25  F   UNL     1      -3.501  -2.621   0.579  1.00  0.00           F  
HETATM   26  C   UNL     1      -3.411   1.258   1.406  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.440   1.896   1.936  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.949   0.547   0.830  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.980  -0.144   0.256  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.254   3.997  -1.899  1.00  0.00           H  
HETATM   31  H   UNL     1       0.757   4.459  -0.640  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.510   1.215  -0.756  1.00  0.00           H  
HETATM   33  H   UNL     1       0.876  -1.326  -3.499  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.218   0.009  -3.934  1.00  0.00           H  
HETATM   35  H   UNL     1       1.543   0.264  -3.941  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.434  -3.717  -0.578  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.494   2.085   2.104  1.00  0.00           H  
HETATM   38  H   UNL     1       4.383   2.472   1.773  1.00  0.00           H  
HETATM   39  H   UNL     1       5.799   1.907   0.855  1.00  0.00           H  
HETATM   40  H   UNL     1       4.241   2.146   0.029  1.00  0.00           H  
HETATM   41  H   UNL     1       2.476  -3.201   0.381  1.00  0.00           H  
HETATM   42  H   UNL     1       2.399  -3.286   2.157  1.00  0.00           H  
HETATM   43  H   UNL     1       1.280  -2.226   1.267  1.00  0.00           H  
HETATM   44  H   UNL     1       1.033   0.020   0.630  1.00  0.00           H  
HETATM   45  H   UNL     1       2.803   0.287  -1.844  1.00  0.00           H  
HETATM   46  H   UNL     1       2.106  -1.265  -1.313  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.400   1.554   1.643  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.210  -0.957  -0.416  1.00  0.00           H  
CONECT    1   10   30   31                                            
CONECT    2    6    6    3    9                                       
CONECT    3    4    4    2   32                                       
CONECT    4    8   21    3    3                                       
CONECT    5   21   33   34   35                                       
CONECT    6    7   25    2    2                                       
CONECT    7    8    8    6   36                                       
CONECT    8   24    7    7    4                                       
CONECT    9    2   26   26   29                                       
CONECT   10   23   22   22    1                                       
CONECT   11   27   27   28   37                                       
CONECT   12   13   38   39   40                                       
CONECT   13   17   17   12   14                                       
CONECT   14   15   15   13   19                                       
CONECT   15   16   18   14   14                                       
CONECT   16   17   15                                                 
CONECT   17   16   13   13                                            
CONECT   18   15   41   42   43                                       
CONECT   19   14   20   23   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20    5    4   22                                       
CONECT   22   21   10   10                                            
CONECT   23   19   10                                                 
CONECT   24    8                                                      
CONECT   25    6                                                      
CONECT   26    9    9   27   47                                       
CONECT   27   26   11   11                                            
CONECT   28   29   29   11                                            
CONECT   29    9   28   28   48                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
