COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.084   0.860  -0.348  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.101  -0.074  -0.031  1.00  0.00           C  
HETATM    3  C   UNL     1       0.213   0.367   0.104  1.00  0.00           C  
HETATM    4  N   UNL     1       0.484   1.655  -0.073  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.736   2.137  -0.511  1.00  0.00           N  
HETATM    6  O   UNL     1     -10.618  -0.473   0.123  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.684  -1.231   0.241  1.00  0.00           C  
HETATM    8  OXT UNL     1      -9.894  -2.557   0.251  1.00  0.00           O  
HETATM    9  CA  UNL     1      -8.285  -0.688   0.378  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.344   0.713   0.814  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.571  -0.772  -0.972  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.135  -0.345  -0.809  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.168  -1.284  -0.499  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.852  -0.899  -0.349  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.789   0.984  -0.975  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.476   1.381  -0.827  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.497   0.440  -0.509  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.476   2.517  -0.374  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.153   3.851  -0.550  1.00  0.00           N  
HETATM   20  O   UNL     1       1.202  -0.506   0.413  1.00  0.00           O  
HETATM   21  C   UNL     1       2.523   0.025   0.533  1.00  0.00           C  
HETATM   22  C   UNL     1       2.769   0.456   1.981  1.00  0.00           C  
HETATM   23  F   UNL     1       4.062   0.977   2.099  1.00  0.00           F  
HETATM   24  F   UNL     1       1.837   1.436   2.341  1.00  0.00           F  
HETATM   25  F   UNL     1       2.633  -0.650   2.826  1.00  0.00           F  
HETATM   26  C   UNL     1       3.527  -1.030   0.146  1.00  0.00           C  
HETATM   27  C   UNL     1       3.206  -2.367   0.269  1.00  0.00           C  
HETATM   28  C   UNL     1       4.126  -3.337  -0.086  1.00  0.00           C  
HETATM   29  C   UNL     1       5.371  -2.970  -0.566  1.00  0.00           C  
HETATM   30 CL   UNL     1       6.523  -4.189  -1.011  1.00  0.00          Cl  
HETATM   31  C   UNL     1       5.697  -1.632  -0.693  1.00  0.00           C  
HETATM   32  C   UNL     1       4.773  -0.658  -0.342  1.00  0.00           C  
HETATM   33  N   UNL     1       5.100   0.699  -0.469  1.00  0.00           N  
HETATM   34  N   UNL     1       4.315   1.682  -1.086  1.00  0.00           N  
HETATM   35  C   UNL     1       4.952   2.823  -1.007  1.00  0.00           C  
HETATM   36  C   UNL     1       4.467   4.145  -1.544  1.00  0.00           C  
HETATM   37  C   UNL     1       6.162   2.604  -0.339  1.00  0.00           C  
HETATM   38  C   UNL     1       6.227   1.292  -0.014  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.351  -1.115   0.108  1.00  0.00           H  
HETATM   40  HXT UNL     1     -10.809  -2.857   0.161  1.00  0.00           H  
HETATM   41  HA  UNL     1      -7.738  -1.276   1.116  1.00  0.00           H  
HETATM   42  H1  UNL     1      -8.847   1.279   0.147  1.00  0.00           H  
HETATM   43  H2  UNL     1      -8.753   0.789   1.733  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.606  -1.799  -1.338  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.067  -0.115  -1.687  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.444  -2.321  -0.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.097  -1.633  -0.106  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.548   1.712  -1.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.206   2.418  -0.956  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.845   4.493  -0.771  1.00  0.00           H  
HETATM   51  H   UNL     1       0.767   4.144  -0.453  1.00  0.00           H  
HETATM   52  H   UNL     1       2.629   0.887  -0.125  1.00  0.00           H  
HETATM   53  H   UNL     1       2.235  -2.657   0.645  1.00  0.00           H  
HETATM   54  H   UNL     1       3.872  -4.382   0.012  1.00  0.00           H  
HETATM   55  H   UNL     1       6.667  -1.346  -1.072  1.00  0.00           H  
HETATM   56  H   UNL     1       3.889   4.659  -0.776  1.00  0.00           H  
HETATM   57  H   UNL     1       5.322   4.758  -1.827  1.00  0.00           H  
HETATM   58  H   UNL     1       3.838   3.973  -2.418  1.00  0.00           H  
HETATM   59  H   UNL     1       6.910   3.351  -0.118  1.00  0.00           H  
HETATM   60  H   UNL     1       7.036   0.805   0.510  1.00  0.00           H  
CONECT    1    5   17    2    2                                       
CONECT    2    1    1    3   39                                       
CONECT    3    4    4    2   20                                       
CONECT    4   18    3    3                                            
CONECT    5   18   18    1                                            
CONECT    6    7    7                                                 
CONECT    7    6    6    9    8                                       
CONECT    8    7   40                                                 
CONECT    9   11    7   10   41                                       
CONECT   10    9   42   43                                            
CONECT   11   12    9   44   45                                       
CONECT   12   15   11   13   13                                       
CONECT   13   12   12   14   46                                       
CONECT   14   17   17   13   47                                       
CONECT   15   16   16   12   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16    1   14   14                                       
CONECT   18   19    5    5    4                                       
CONECT   19   18   50   51                                            
CONECT   20    3   21                                                 
CONECT   21   26   20   22   52                                       
CONECT   22   21   25   23   24                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   32   21   27   27                                       
CONECT   27   26   26   28   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   31   30   28   28                                       
CONECT   30   29                                                      
CONECT   31   32   32   29   55                                       
CONECT   32   33   31   31   26                                       
CONECT   33   38   32   34                                            
CONECT   34   33   35   35                                            
CONECT   35   37   34   34   36                                       
CONECT   36   35   56   57   58                                       
CONECT   37   38   38   35   59                                       
CONECT   38   37   37   33   60                                       
CONECT   39    2                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
