COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.183   0.337   0.678  1.00  0.00           C  
HETATM    2  C   UNL     1       0.291  -1.304   2.107  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.904  -1.110   1.172  1.00  0.00           C  
HETATM    4  C   UNL     1       4.423  -1.516  -0.693  1.00  0.00           C  
HETATM    5  C   UNL     1       3.332  -0.972   0.197  1.00  0.00           C  
HETATM    6  C   UNL     1       6.175  -4.232  -2.256  1.00  0.00           C  
HETATM    7  C   UNL     1       2.300  -1.713   0.668  1.00  0.00           C  
HETATM    8  C   UNL     1       2.102  -3.180   0.380  1.00  0.00           C  
HETATM    9  C   UNL     1       2.947  -3.563  -0.841  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.199  -1.402   1.932  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.546  -1.850   1.544  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.682  -1.690   0.531  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.979  -0.200   0.335  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.704   0.509  -0.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.596   0.285   0.902  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.056  -0.034  -0.706  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.001  -0.440  -1.985  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.019   0.516  -1.759  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.300   1.051  -1.863  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.871   1.632  -0.751  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.017   1.197   0.561  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.363   0.595  -0.513  1.00  0.00           C  
HETATM   23  C   UNL     1       4.094   1.477   0.408  1.00  0.00           C  
HETATM   24  C   UNL     1       5.465   1.263   0.285  1.00  0.00           C  
HETATM   25  C   UNL     1       6.308   2.327   0.033  1.00  0.00           C  
HETATM   26  C   UNL     1       5.793   3.604  -0.097  1.00  0.00           C  
HETATM   27  C   UNL     1       4.432   3.822   0.025  1.00  0.00           C  
HETATM   28  C   UNL     1       3.580   2.765   0.271  1.00  0.00           C  
HETATM   29  C   UNL     1       6.718   4.762  -0.372  1.00  0.00           C  
HETATM   30  F   UNL     1       6.857   4.929  -1.754  1.00  0.00           F  
HETATM   31  F   UNL     1       6.184   5.928   0.188  1.00  0.00           F  
HETATM   32  F   UNL     1       7.970   4.503   0.196  1.00  0.00           F  
HETATM   33  N   UNL     1       2.086   0.374   1.409  1.00  0.00           N  
HETATM   34  N   UNL     1       1.521  -0.910   1.416  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.350  -1.155   1.053  1.00  0.00           N  
HETATM   36  N   UNL     1     -10.228   1.691   0.404  1.00  0.00           N1+
HETATM   37  N   UNL     1      -8.166  -0.117  -2.628  1.00  0.00           N  
HETATM   38  N   UNL     1       4.291  -2.984  -0.699  1.00  0.00           N  
HETATM   39  O   UNL     1     -10.868   2.297   1.513  1.00  0.00           O  
HETATM   40  O   UNL     1       5.117  -5.161   0.010  1.00  0.00           O  
HETATM   41  O   UNL     1       6.563  -3.158   0.156  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.791  -2.003   0.062  1.00  0.00           O  
HETATM   43  S   UNL     1       5.623  -3.957  -0.550  1.00  0.00           S  
HETATM   44  H   UNL     1       0.161  -0.688   2.996  1.00  0.00           H  
HETATM   45  H   UNL     1       0.358  -2.352   2.398  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.919  -0.081   0.811  1.00  0.00           H  
HETATM   47  H   UNL     1       4.304  -1.129  -1.705  1.00  0.00           H  
HETATM   48  H   UNL     1       5.399  -1.232  -0.300  1.00  0.00           H  
HETATM   49  H   UNL     1       6.420  -3.275  -2.717  1.00  0.00           H  
HETATM   50  H   UNL     1       7.059  -4.870  -2.253  1.00  0.00           H  
HETATM   51  H   UNL     1       5.379  -4.716  -2.822  1.00  0.00           H  
HETATM   52  H   UNL     1       2.419  -3.768   1.242  1.00  0.00           H  
HETATM   53  H   UNL     1       1.050  -3.373   0.171  1.00  0.00           H  
HETATM   54  H   UNL     1       3.023  -4.649  -0.905  1.00  0.00           H  
HETATM   55  H   UNL     1       2.477  -3.176  -1.745  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.204  -2.444   2.253  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.263  -0.753   2.805  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.849  -1.421   2.500  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.323  -2.908   1.675  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.386  -2.130  -0.421  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.575  -2.192   0.903  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.314   0.232   1.278  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.392   0.103  -1.092  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.898   1.577  -0.231  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.683   0.777   0.567  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.903   0.703   1.861  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.162  -0.946  -2.439  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.838   1.012  -2.799  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.864   2.049  -0.825  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.526   1.265   1.520  1.00  0.00           H  
HETATM   71  H   UNL     1       5.868   0.266   0.386  1.00  0.00           H  
HETATM   72  H   UNL     1       7.371   2.162  -0.063  1.00  0.00           H  
HETATM   73  H   UNL     1       4.036   4.822  -0.077  1.00  0.00           H  
HETATM   74  H   UNL     1       2.518   2.936   0.362  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.698   3.246   1.595  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.771  -2.937   0.309  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.360  -0.309  -3.559  1.00  0.00           H  
CONECT    1   33   33    5   23                                       
CONECT    2    3   34   44   45                                       
CONECT    3    2   42   10   46                                       
CONECT    4    5   38   47   48                                       
CONECT    5    7    7    1    4                                       
CONECT    6   43   49   50   51                                       
CONECT    7   34    8    5    5                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   38   54   55                                       
CONECT   10    3   35   56   57                                       
CONECT   11   35   12   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   16   62                                       
CONECT   14   15   13   63   64                                       
CONECT   15   35   14   65   66                                       
CONECT   16   22   13   17   17                                       
CONECT   17   16   16   37   67                                       
CONECT   18   22   19   19   37                                       
CONECT   19   20   18   18   68                                       
CONECT   20   36   36   19   69                                       
CONECT   21   36   22   22   70                                       
CONECT   22   21   21   16   18                                       
CONECT   23    1   24   24   28                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   25   25   27   29                                       
CONECT   27   28   28   26   73                                       
CONECT   28   23   27   27   74                                       
CONECT   29   32   26   30   31                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   34    1    1                                            
CONECT   34    2   33    7                                            
CONECT   35   10   15   11                                            
CONECT   36   39   21   20   20                                       
CONECT   37   18   17   77                                            
CONECT   38    9   43    4                                            
CONECT   39   36   75                                                 
CONECT   40   43   43                                                 
CONECT   41   43   43                                                 
CONECT   42    3   76                                                 
CONECT   43   40   40   38   41                                       
CONECT   43   41    6                                                 
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   39                                                      
CONECT   76   42                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
