COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.511   0.160   1.479  1.00  0.00           C  
HETATM    2  C   UNL     1       4.582  -0.713   0.392  1.00  0.00           C  
HETATM    3  C   UNL     1       3.529  -0.770  -0.520  1.00  0.00           C  
HETATM    4  C   UNL     1       2.424   0.048  -0.348  1.00  0.00           C  
HETATM    5  C   UNL     1       2.363   0.913   0.736  1.00  0.00           C  
HETATM    6  C   UNL     1       3.404   0.967   1.644  1.00  0.00           C  
HETATM    7  O   UNL     1       1.398   0.000  -1.238  1.00  0.00           O  
HETATM    8  C   UNL     1       0.403   0.772  -0.731  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.251   0.371   0.347  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.228   1.092   0.874  1.00  0.00           C  
HETATM   11  C   UNL     1       0.078   1.970  -1.354  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.937   2.755  -0.826  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.601   2.304   0.306  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.872   0.643   1.981  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.773  -0.284   1.562  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.847  -0.624   2.374  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.767  -1.567   1.953  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.623  -2.176   0.722  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.547  -1.840  -0.100  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.623  -0.885   0.323  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.390  -2.491  -1.420  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.276  -3.399  -1.824  1.00  0.00           N  
HETATM   23  C   UNL     1       5.769  -1.578   0.212  1.00  0.00           C  
HETATM   24  N   UNL     1       6.771  -1.525   1.086  1.00  0.00           N  
HETATM   25  N   UNL     1       5.834  -2.410  -0.826  1.00  0.00           N1+
HETATM   26  F   UNL     1       0.751   2.373  -2.455  1.00  0.00           F  
HETATM   27  C   UNL     1      -1.313   4.064  -1.470  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.600   3.034   0.848  1.00  0.00           F  
HETATM   29  N   UNL     1      -2.363  -2.169  -2.203  1.00  0.00           N1+
HETATM   30  H   UNL     1       5.323   0.205   2.189  1.00  0.00           H  
HETATM   31  H   UNL     1       3.578  -1.444  -1.362  1.00  0.00           H  
HETATM   32  H   UNL     1       1.498   1.547   0.871  1.00  0.00           H  
HETATM   33  H   UNL     1       3.350   1.642   2.486  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.965  -0.151   3.338  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.600  -1.828   2.588  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.343  -2.912   0.397  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.789  -0.620  -0.310  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.024  -3.634  -1.253  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.173  -3.826  -2.688  1.00  0.00           H  
HETATM   40  H   UNL     1       6.724  -0.919   1.842  1.00  0.00           H  
HETATM   41  H   UNL     1       7.549  -2.093   0.968  1.00  0.00           H  
HETATM   42  H   UNL     1       6.612  -2.978  -0.944  1.00  0.00           H  
HETATM   43  H   UNL     1       5.104  -2.449  -1.463  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.723   4.868  -1.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.117   4.012  -2.541  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.373   4.259  -1.305  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.259  -2.596  -3.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.717  -1.507  -1.909  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   10                                            
CONECT   10    9   13   13   14                                       
CONECT   11    8   12   12   26                                       
CONECT   12   11   11   13   27                                       
CONECT   13   10   10   12   28                                       
CONECT   14   10   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   18   18   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   21                                       
CONECT   20   15   19   19   37                                       
CONECT   21   19   22   29   29                                       
CONECT   22   21   38   39                                            
CONECT   23    2   24   25   25                                       
CONECT   24   23   40   41                                            
CONECT   25   23   23   42   43                                       
CONECT   26   11                                                      
CONECT   27   12   44   45   46                                       
CONECT   28   13                                                      
CONECT   29   21   21   47   48                                       
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
