COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.970  -0.183   0.397  1.00  0.00           N  
HETATM    2  C   UNL     1       4.887   0.003  -0.573  1.00  0.00           C  
HETATM    3  C   UNL     1       2.213  -0.848  -1.117  1.00  0.00           C  
HETATM    4  C   UNL     1       0.875  -0.920  -1.439  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.080  -0.389  -0.568  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.579  -2.043   0.691  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.517  -0.484   1.785  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.547   0.193   2.435  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.998   1.392   1.976  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.284   3.042  -1.419  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.378   1.268   0.165  1.00  0.00           C  
HETATM   12  C   UNL     1       7.300   0.365  -1.184  1.00  0.00           C  
HETATM   13  C   UNL     1       8.561   0.480  -0.372  1.00  0.00           C  
HETATM   14  C   UNL     1       9.885   0.680  -0.727  1.00  0.00           C  
HETATM   15  C   UNL     1      10.844   0.743   0.267  1.00  0.00           C  
HETATM   16  N   UNL     1      10.508   0.615   1.536  1.00  0.00           N  
HETATM   17  C   UNL     1       9.258   0.424   1.908  1.00  0.00           C  
HETATM   18  C   UNL     1       8.246   0.350   0.969  1.00  0.00           C  
HETATM   19  C   UNL     1       6.760   0.144   1.100  1.00  0.00           C  
HETATM   20  N   UNL     1       6.187   0.155  -0.251  1.00  0.00           N  
HETATM   21  O   UNL     1       4.542   0.034  -1.738  1.00  0.00           O  
HETATM   22  C   UNL     1       2.612  -0.249   0.072  1.00  0.00           C  
HETATM   23  C   UNL     1       1.665   0.285   0.938  1.00  0.00           C  
HETATM   24  C   UNL     1       0.325   0.212   0.626  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.513  -0.463  -0.909  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.529   0.119   0.038  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.874  -1.022  -2.017  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.220  -1.140  -2.372  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.188  -0.957  -1.454  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.355  -0.986  -1.784  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.816  -0.707  -0.017  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.161  -1.807   2.005  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.768  -2.780   0.705  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.592  -2.763   0.009  1.00  0.00           F  
HETATM   35  C   UNL     1      -4.933   0.036   0.670  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.801   1.840  -0.985  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.310   3.672  -0.718  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.845   3.137   0.352  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.421   1.961   0.827  1.00  0.00           C  
HETATM   40  H   UNL     1       4.253  -0.275   1.320  1.00  0.00           H  
HETATM   41  H   UNL     1       2.951  -1.262  -1.788  1.00  0.00           H  
HETATM   42  H   UNL     1       0.565  -1.385  -2.363  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.174  -1.432   2.174  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.993  -0.240   3.318  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.798   1.903   2.491  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.864   3.507  -2.298  1.00  0.00           H  
HETATM   47  H   UNL     1       7.140   1.283  -1.750  1.00  0.00           H  
HETATM   48  H   UNL     1       7.376  -0.482  -1.867  1.00  0.00           H  
HETATM   49  H   UNL     1      10.165   0.785  -1.765  1.00  0.00           H  
HETATM   50  H   UNL     1      11.879   0.899   0.002  1.00  0.00           H  
HETATM   51  H   UNL     1       9.022   0.323   2.957  1.00  0.00           H  
HETATM   52  H   UNL     1       6.561  -0.816   1.577  1.00  0.00           H  
HETATM   53  H   UNL     1       6.326   0.948   1.693  1.00  0.00           H  
HETATM   54  H   UNL     1       1.980   0.749   1.861  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.410   0.623   1.302  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.131   0.103   1.052  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.746   1.147  -0.251  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.459  -1.356  -3.287  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.999   1.342  -1.509  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.674   4.628  -1.066  1.00  0.00           H  
CONECT    1   22    2   40                                            
CONECT    2   21   21    1   20                                       
CONECT    3    4   22   22   41                                       
CONECT    4    5    5    3   42                                       
CONECT    5   25    4    4   24                                       
CONECT    6   32   33   34   31                                       
CONECT    7    8   35   35   43                                       
CONECT    8    9    9    7   44                                       
CONECT    9    8    8   39   45                                       
CONECT   10   37   36   36   46                                       
CONECT   11   39   39   35   36                                       
CONECT   12   20   13   47   48                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   51                                       
CONECT   18   19   13   13   17                                       
CONECT   19   20   18   52   53                                       
CONECT   20    2   19   12                                            
CONECT   21    2    2                                                 
CONECT   22    3    3   23    1                                       
CONECT   23   24   24   22   54                                       
CONECT   24    5   23   23   55                                       
CONECT   25   26   27   27    5                                       
CONECT   26   31   25   56   57                                       
CONECT   27   28   25   25                                            
CONECT   28   29   27   58                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31    6   35   29   26                                       
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7    7   11   31                                       
CONECT   36   11   10   10   59                                       
CONECT   37   38   38   10   60                                       
CONECT   38   39   37   37                                            
CONECT   39    9   38   11   11                                       
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
