COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.587   0.053   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       5.113   0.162   0.031  1.00  0.00           C  
HETATM    3  N   UNL     1       5.673  -0.195   1.342  1.00  0.00           N  
HETATM    4  C   UNL     1       5.294  -1.565   1.718  1.00  0.00           C  
HETATM    5  C   UNL     1       3.768  -1.673   1.771  1.00  0.00           C  
HETATM    6  N   UNL     1       3.209  -1.316   0.460  1.00  0.00           N  
HETATM    7  C   UNL     1       1.820  -1.473   0.449  1.00  0.00           C  
HETATM    8  C   UNL     1       1.233  -2.411  -0.391  1.00  0.00           C  
HETATM    9  C   UNL     1       2.094  -3.261  -1.290  1.00  0.00           C  
HETATM   10  F   UNL     1       2.982  -4.012  -0.512  1.00  0.00           F  
HETATM   11  F   UNL     1       1.283  -4.123  -2.034  1.00  0.00           F  
HETATM   12  F   UNL     1       2.818  -2.436  -2.158  1.00  0.00           F  
HETATM   13  C   UNL     1      -0.138  -2.566  -0.401  1.00  0.00           C  
HETATM   14  C   UNL     1       1.026  -0.694   1.282  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.345  -0.849   1.271  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.932  -1.783   0.427  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.326  -1.940   0.415  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.254  -0.957   0.265  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.194   0.496   0.076  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.968   1.159   0.018  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.036  -3.143   0.550  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.298  -2.895   0.490  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.502  -1.579   0.318  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.708  -0.755   0.183  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.805  -1.281   0.227  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.613   0.575   0.011  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.392   1.222  -0.046  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.343   2.602  -0.226  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.132   3.251  -0.284  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.937   2.535  -0.162  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.637   3.246  -0.227  1.00  0.00           C  
HETATM   32  C   UNL     1       0.559   2.542  -0.112  1.00  0.00           C  
HETATM   33  N   UNL     1       1.717   3.169  -0.169  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.594   4.632  -0.409  1.00  0.00           C  
HETATM   35  C   UNL     1       0.642   5.249  -0.463  1.00  0.00           C  
HETATM   36  C   UNL     1       1.791   4.480  -0.335  1.00  0.00           C  
HETATM   37  O   UNL     1       3.007   5.079  -0.387  1.00  0.00           O  
HETATM   38  C   UNL     1       4.153   4.235  -0.255  1.00  0.00           C  
HETATM   39  H   UNL     1       3.198   0.754   0.823  1.00  0.00           H  
HETATM   40  H   UNL     1       3.171   0.289  -0.895  1.00  0.00           H  
HETATM   41  H   UNL     1       5.500  -0.520  -0.727  1.00  0.00           H  
HETATM   42  H   UNL     1       5.396   1.184  -0.219  1.00  0.00           H  
HETATM   43  H   UNL     1       6.675  -0.082   1.350  1.00  0.00           H  
HETATM   44  H   UNL     1       5.683  -2.265   0.979  1.00  0.00           H  
HETATM   45  H   UNL     1       5.710  -1.801   2.697  1.00  0.00           H  
HETATM   46  H   UNL     1       3.485  -2.695   2.022  1.00  0.00           H  
HETATM   47  H   UNL     1       3.382  -0.992   2.529  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.595  -3.295  -1.054  1.00  0.00           H  
HETATM   49  H   UNL     1       1.482   0.032   1.939  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.962  -0.244   1.918  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.047   0.604   0.112  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.426   1.097  -0.076  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.260   3.166  -0.319  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.103   4.322  -0.424  1.00  0.00           H  
HETATM   55  H   UNL     1       0.538   1.470   0.024  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.503   5.206  -0.506  1.00  0.00           H  
HETATM   57  H   UNL     1       0.712   6.318  -0.603  1.00  0.00           H  
HETATM   58  H   UNL     1       5.058   4.840  -0.314  1.00  0.00           H  
HETATM   59  H   UNL     1       4.119   3.724   0.707  1.00  0.00           H  
HETATM   60  H   UNL     1       4.156   3.498  -1.058  1.00  0.00           H  
CONECT    1    6    2   39   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2    4   43                                            
CONECT    4    5    3   44   45                                       
CONECT    5    6    4   46   47                                       
CONECT    6    1    7    5                                            
CONECT    7   14    6    8    8                                       
CONECT    8    7    7   13    9                                       
CONECT    9    8   11   12   10                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13   16   16    8   48                                       
CONECT   14   15   15    7   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   17   13   13                                       
CONECT   17   18   16   21                                            
CONECT   18   19   23   23   17                                       
CONECT   19   27   27   20   18                                       
CONECT   20   30   30   19   51                                       
CONECT   21   17   22   22                                            
CONECT   22   23   21   21                                            
CONECT   23   24   18   18   22                                       
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   52                                            
CONECT   27   28   26   19   19                                       
CONECT   28   29   29   27   53                                       
CONECT   29   28   28   30   54                                       
CONECT   30   29   31   20   20                                       
CONECT   31   32   30   34   34                                       
CONECT   32   33   33   31   55                                       
CONECT   33   32   32   36                                            
CONECT   34   31   31   35   56                                       
CONECT   35   36   36   34   57                                       
CONECT   36   33   37   35   35                                       
CONECT   37   38   36                                                 
CONECT   38   37   58   59   60                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   20                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   38                                                      
CONECT   59   38                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
