COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.122  -2.831  -1.093  1.00  0.00           C  
HETATM    2  C   UNL     1       3.611  -4.281  -1.056  1.00  0.00           C  
HETATM    3  C   UNL     1       4.762  -0.931  -0.658  1.00  0.00           C  
HETATM    4  C   UNL     1       6.519   3.184   0.814  1.00  0.00           C  
HETATM    5  C   UNL     1       5.964   4.533   1.276  1.00  0.00           C  
HETATM    6  C   UNL     1       6.277   4.301  -0.203  1.00  0.00           C  
HETATM    7  C   UNL     1       5.558   1.993   0.798  1.00  0.00           C  
HETATM    8  C   UNL     1       6.327   0.723   0.428  1.00  0.00           C  
HETATM    9  C   UNL     1       5.381  -0.450   0.412  1.00  0.00           C  
HETATM   10  C   UNL     1       4.164  -2.142   1.086  1.00  0.00           C  
HETATM   11  C   UNL     1       1.704  -2.766  -0.587  1.00  0.00           C  
HETATM   12  C   UNL     1       0.926  -1.636  -0.832  1.00  0.00           C  
HETATM   13  CA  UNL     1       0.058   0.354  -1.452  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.046   1.689  -2.047  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.949  -0.301  -0.765  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.312   0.207  -0.497  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.195   0.435  -1.553  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.466   0.908  -1.297  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.867   1.156   0.003  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.996   0.931   1.057  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.723   0.453   0.814  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.256   1.673   0.274  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.964   1.114   0.819  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.398  -1.598  -0.356  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.916  -2.684   0.353  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.135  -3.781   0.581  1.00  0.00           C  
HETATM   27  C   UNL     1       1.172  -3.825   0.113  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.394   1.176   2.325  1.00  0.00           F  
HETATM   29  N   UNL     1       7.912   2.870   1.158  1.00  0.00           N  
HETATM   30  N   UNL     1       3.982  -2.004  -0.244  1.00  0.00           N  
HETATM   31  N   UNL     1       1.177  -0.454  -1.487  1.00  0.00           N  
HETATM   32  O   UNL     1       5.021  -1.190   1.486  1.00  0.00           O  
HETATM   33  O   UNL     1       3.643  -2.981   1.796  1.00  0.00           O  
HETATM   34  OXT UNL     1       1.010   2.223  -2.695  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.084   2.315  -1.957  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.484  -0.443  -0.710  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.005  -0.419   1.694  1.00  0.00           O  
HETATM   38  S   UNL     1      -7.386   0.274   0.513  1.00  0.00           S  
HETATM   39  H   UNL     1       3.159  -2.462  -2.118  1.00  0.00           H  
HETATM   40  H   UNL     1       3.573  -4.650  -0.031  1.00  0.00           H  
HETATM   41  H   UNL     1       2.971  -4.896  -1.688  1.00  0.00           H  
HETATM   42  H   UNL     1       4.636  -4.328  -1.422  1.00  0.00           H  
HETATM   43  H   UNL     1       4.844  -0.554  -1.666  1.00  0.00           H  
HETATM   44  H   UNL     1       4.914   4.572   1.569  1.00  0.00           H  
HETATM   45  H   UNL     1       6.632   5.187   1.836  1.00  0.00           H  
HETATM   46  H   UNL     1       7.152   4.803  -0.617  1.00  0.00           H  
HETATM   47  H   UNL     1       5.434   4.188  -0.884  1.00  0.00           H  
HETATM   48  H   UNL     1       5.112   1.873   1.785  1.00  0.00           H  
HETATM   49  H   UNL     1       4.773   2.170   0.063  1.00  0.00           H  
HETATM   50  H   UNL     1       6.773   0.844  -0.560  1.00  0.00           H  
HETATM   51  H   UNL     1       7.113   0.547   1.162  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.884   0.243  -2.569  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.149   1.086  -2.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.044   0.278   1.636  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.246   2.289   1.174  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.593   2.272  -0.572  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.745   0.372   0.982  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.874   1.747   1.702  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.221   1.729  -0.043  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.931  -2.657   0.719  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.536  -4.620   1.130  1.00  0.00           H  
HETATM   62  H   UNL     1       1.776  -4.701   0.298  1.00  0.00           H  
HETATM   63  H   UNL     1       8.175   1.962   0.808  1.00  0.00           H  
HETATM   64  H   UNL     1       8.538   3.585   0.818  1.00  0.00           H  
HETATM   65  H   UNL     1       2.017  -0.220  -1.911  1.00  0.00           H  
HETATM   66  HXT UNL     1       0.846   3.106  -3.053  1.00  0.00           H  
CONECT    1   11   30    2   39                                       
CONECT    2    1   40   41   42                                       
CONECT    3   30    9    9   43                                       
CONECT    4    6    7   29    5                                       
CONECT    5    6    4   44   45                                       
CONECT    6    4    5   46   47                                       
CONECT    7    8    4   48   49                                       
CONECT    8    9    7   50   51                                       
CONECT    9   32    3    3    8                                       
CONECT   10   33   33   32   30                                       
CONECT   11   12   12   27    1                                       
CONECT   12   24   31   11   11                                       
CONECT   13   14   15   15   31                                       
CONECT   14   35   35   13   34                                       
CONECT   15   16   13   13   24                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   52                                       
CONECT   18   19   19   17   53                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   28   21   21                                       
CONECT   21   20   20   16   54                                       
CONECT   22   38   19   55   56                                       
CONECT   23   38   57   58   59                                       
CONECT   24   15   25   25   12                                       
CONECT   25   24   24   26   60                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   11   62                                       
CONECT   28   20                                                      
CONECT   29    4   63   64                                            
CONECT   30   10    1    3                                            
CONECT   31   13   12   65                                            
CONECT   32   10    9                                                 
CONECT   33   10   10                                                 
CONECT   34   14   66                                                 
CONECT   35   14   14                                                 
CONECT   36   38   38                                                 
CONECT   37   38   38                                                 
CONECT   38   37   37   36   36                                       
CONECT   38   23   22                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
