COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.809  -0.783  -0.266  1.00  0.00           C  
HETATM    2  C   UNL     1       0.773  -0.335   0.640  1.00  0.00           C  
HETATM    3  C   UNL     1       0.966  -0.553   2.142  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.009  -3.181   0.988  1.00  0.00           C  
HETATM    5  C   UNL     1       2.937   0.549  -0.141  1.00  0.00           C  
HETATM    6  C   UNL     1       3.760   1.609  -0.570  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.001   2.269  -0.231  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.086   3.241   0.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.768   2.914   0.391  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.347   1.588   0.254  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.282   0.601  -0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.610   0.954  -0.372  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.061   1.222   0.483  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.672  -0.010   0.362  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.503  -1.024  -0.005  1.00  0.00           N  
HETATM   16  O   UNL     1      -3.563  -1.680  -0.595  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.002  -2.327  -0.113  1.00  0.00           C  
HETATM   18  N   UNL     1       1.618   0.776   0.196  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.491  -2.788  -1.319  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.019  -4.014  -1.425  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.011  -4.846  -0.402  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.497  -4.458   0.833  1.00  0.00           C  
HETATM   23  C   UNL     1       5.099   1.317  -0.901  1.00  0.00           C  
HETATM   24  N   UNL     1       5.527   0.064  -0.796  1.00  0.00           N  
HETATM   25  C   UNL     1       4.717  -0.902  -0.388  1.00  0.00           C  
HETATM   26  N   UNL     1       3.450  -0.675  -0.072  1.00  0.00           N  
HETATM   27  N   UNL     1       5.207  -2.189  -0.294  1.00  0.00           N  
HETATM   28  N   UNL     1       5.950   2.317  -1.328  1.00  0.00           N  
HETATM   29  C   UNL     1       3.251   2.944  -0.668  1.00  0.00           C  
HETATM   30  N   UNL     1       2.848   4.003  -0.745  1.00  0.00           N  
HETATM   31 CL   UNL     1      -5.763  -0.255  -0.846  1.00  0.00          Cl  
HETATM   32  F   UNL     1      -1.888   3.871   0.760  1.00  0.00           F  
HETATM   33  C   UNL     1       2.343  -1.022   2.617  1.00  0.00           C  
HETATM   34  C   UNL     1       1.890   0.415   2.884  1.00  0.00           C  
HETATM   35  H   UNL     1       1.052  -1.241   0.103  1.00  0.00           H  
HETATM   36  H   UNL     1       0.095  -0.928   2.679  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.399  -2.852   1.940  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.029   2.544  -0.416  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.409   4.266   0.254  1.00  0.00           H  
HETATM   40  H   UNL     1       1.250   1.672   0.138  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.481  -2.135  -2.180  1.00  0.00           H  
HETATM   42  H   UNL     1       0.385  -5.843  -0.530  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.486  -5.147   1.665  1.00  0.00           H  
HETATM   44  H   UNL     1       6.131  -2.374  -0.526  1.00  0.00           H  
HETATM   45  H   UNL     1       4.628  -2.908   0.002  1.00  0.00           H  
HETATM   46  H   UNL     1       5.629   3.229  -1.402  1.00  0.00           H  
HETATM   47  H   UNL     1       6.870   2.107  -1.554  1.00  0.00           H  
HETATM   48  H   UNL     1       2.378  -1.705   3.466  1.00  0.00           H  
HETATM   49  H   UNL     1       3.112  -1.174   1.859  1.00  0.00           H  
HETATM   50  H   UNL     1       2.360   1.208   2.302  1.00  0.00           H  
HETATM   51  H   UNL     1       1.627   0.677   3.908  1.00  0.00           H  
CONECT    1   15   16   16   11                                       
CONECT    2   18    3   14   35                                       
CONECT    3    2   33   34   36                                       
CONECT    4   22   22   17   37                                       
CONECT    5    6    6   26   18                                       
CONECT    6   23   29    5    5                                       
CONECT    7   12   12    8   38                                       
CONECT    8    9    9    7   39                                       
CONECT    9   10   32    8    8                                       
CONECT   10   13   11   11    9                                       
CONECT   11    1   10   10   12                                       
CONECT   12   11    7    7   31                                       
CONECT   13   14   14   10                                            
CONECT   14    2   15   13   13                                       
CONECT   15   17   14    1                                            
CONECT   16    1    1                                                 
CONECT   17   19   19    4   15                                       
CONECT   18    5    2   40                                            
CONECT   19   20   17   17   41                                       
CONECT   20   21   21   19                                            
CONECT   21   20   20   22   42                                       
CONECT   22   21    4    4   43                                       
CONECT   23   28   24   24    6                                       
CONECT   24   23   23   25                                            
CONECT   25   24   27   26   26                                       
CONECT   26   25   25    5                                            
CONECT   27   25   44   45                                            
CONECT   28   23   46   47                                            
CONECT   29    6   30   30   30                                       
CONECT   30   29   29   29                                            
CONECT   31   12                                                      
CONECT   32    9                                                      
CONECT   33    3   34   48   49                                       
CONECT   34    3   33   50   51                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   33                                                      
CONECT   49   33                                                      
CONECT   50   34                                                      
CONECT   51   34                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
