COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.016   3.092   0.732  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.375   2.621   0.280  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.417   3.412  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.471   2.572  -0.477  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.813   3.011  -1.003  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.111   1.317  -0.239  1.00  0.00           N1+
HETATM    7  C   UNL     1      -4.826   1.291   0.224  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.201   0.088   0.553  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.782   0.134   1.059  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.817  -0.045  -0.115  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.376   0.002   0.398  1.00  0.00           C  
HETATM   12  C   UNL     1       0.589  -0.177  -0.775  1.00  0.00           C  
HETATM   13  C   UNL     1       2.008  -0.131  -0.269  1.00  0.00           C  
HETATM   14  C   UNL     1       2.965  -1.070  -0.456  1.00  0.00           C  
HETATM   15  N   UNL     1       4.073  -0.609   0.170  1.00  0.00           N  
HETATM   16  C   UNL     1       5.367  -1.291   0.237  1.00  0.00           C  
HETATM   17  C   UNL     1       6.462  -0.361  -0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       7.793  -1.115  -0.336  1.00  0.00           C  
HETATM   19  O   UNL     1       7.670  -2.244  -1.203  1.00  0.00           O  
HETATM   20  C   UNL     1       8.887  -0.184  -0.862  1.00  0.00           C  
HETATM   21  O   UNL     1      10.130  -0.888  -0.906  1.00  0.00           O  
HETATM   22  C   UNL     1       9.019   1.025   0.066  1.00  0.00           C  
HETATM   23  O   UNL     1      10.041   1.894  -0.426  1.00  0.00           O  
HETATM   24  C   UNL     1       7.688   1.779   0.113  1.00  0.00           C  
HETATM   25  C   UNL     1       6.593   0.848   0.639  1.00  0.00           C  
HETATM   26  O   UNL     1       6.936   0.405   1.954  1.00  0.00           O  
HETATM   27  N   UNL     1       3.793   0.532   0.696  1.00  0.00           N  
HETATM   28  N   UNL     1       2.572   0.848   0.447  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.823  -1.155   0.437  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.366  -2.454   0.714  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.005  -2.838   1.236  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.408  -3.312   0.415  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.465  -2.541  -0.031  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.808  -3.067  -0.467  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.108  -1.263  -0.014  1.00  0.00           N  
HETATM   36  B   UNL     1      -6.849   0.002  -0.399  1.00  0.00           B1-
HETATM   37  F   UNL     1      -7.228  -0.115  -1.711  1.00  0.00           F  
HETATM   38  F   UNL     1      -7.989   0.070   0.358  1.00  0.00           F  
HETATM   39  H   UNL     1      -2.966   4.178   0.658  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.853   2.790   1.767  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.249   2.648   0.099  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.410   4.488  -0.255  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.827   4.096  -1.100  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.988   2.556  -1.977  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.594   2.698  -0.310  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.598   1.095   1.538  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.628  -0.668   1.781  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.001  -1.006  -0.594  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.971   0.757  -0.837  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.192   0.963   0.878  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.222  -0.800   1.121  1.00  0.00           H  
HETATM   52  H   UNL     1       0.405  -1.138  -1.254  1.00  0.00           H  
HETATM   53  H   UNL     1       0.435   0.625  -1.497  1.00  0.00           H  
HETATM   54  H   UNL     1       2.865  -2.000  -0.995  1.00  0.00           H  
HETATM   55  H   UNL     1       5.584  -1.559   1.272  1.00  0.00           H  
HETATM   56  H   UNL     1       5.334  -2.194  -0.372  1.00  0.00           H  
HETATM   57  H   UNL     1       6.200  -0.023  -1.292  1.00  0.00           H  
HETATM   58  H   UNL     1       8.054  -1.453   0.667  1.00  0.00           H  
HETATM   59  H   UNL     1       8.478  -2.770  -1.281  1.00  0.00           H  
HETATM   60  H   UNL     1       8.626   0.154  -1.865  1.00  0.00           H  
HETATM   61  H   UNL     1      10.871  -0.358  -1.231  1.00  0.00           H  
HETATM   62  H   UNL     1       9.280   0.687   1.068  1.00  0.00           H  
HETATM   63  H   UNL     1      10.179   2.684   0.115  1.00  0.00           H  
HETATM   64  H   UNL     1       7.781   2.640   0.774  1.00  0.00           H  
HETATM   65  H   UNL     1       7.426   2.117  -0.890  1.00  0.00           H  
HETATM   66  H   UNL     1       5.645   1.385   0.673  1.00  0.00           H  
HETATM   67  H   UNL     1       7.036   1.120   2.596  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.993  -2.745   2.322  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.786  -3.868   0.956  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.252  -2.177   0.806  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.398  -4.388   0.512  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.478  -3.110   0.392  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.230  -2.404  -1.223  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.689  -4.066  -0.886  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    7    3    3    1                                       
CONECT    3    4    2    2   42                                       
CONECT    4    6    6    5    3                                       
CONECT    5    4   43   44   45                                       
CONECT    6   36    7    4    4                                       
CONECT    7    8    8    6    2                                       
CONECT    8   29    9    7    7                                       
CONECT    9    8   10   46   47                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   28   12   14   14                                       
CONECT   14   13   13   15   54                                       
CONECT   15   27   14   16                                            
CONECT   16   17   15   55   56                                       
CONECT   17   18   25   16   57                                       
CONECT   18   20   19   17   58                                       
CONECT   19   18   59                                                 
CONECT   20   21   22   18   60                                       
CONECT   21   20   61                                                 
CONECT   22   23   20   24   62                                       
CONECT   23   22   63                                                 
CONECT   24   22   25   64   65                                       
CONECT   25   26   24   17   66                                       
CONECT   26   25   67                                                 
CONECT   27   28   28   15                                            
CONECT   28   27   27   13                                            
CONECT   29   30   30   35    8                                       
CONECT   30   32   31   29   29                                       
CONECT   31   30   68   69   70                                       
CONECT   32   33   33   30   71                                       
CONECT   33   34   32   32   35                                       
CONECT   34   33   72   73   74                                       
CONECT   35   33   29   36                                            
CONECT   36   35   38   37    6                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
