COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.121   2.250   1.212  1.00  0.00           C  
HETATM    2  C   UNL     1       4.089   0.657  -0.632  1.00  0.00           C  
HETATM    3  C   UNL     1       5.323  -0.100  -0.134  1.00  0.00           C  
HETATM    4  O   UNL     1       1.301   0.534  -2.248  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.981  -0.839  -0.037  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.568  -1.897  -0.339  1.00  0.00           N  
HETATM    7  C   UNL     1       9.953  -1.538   0.631  1.00  0.00           C  
HETATM    8  C   UNL     1       9.454  -0.450   1.334  1.00  0.00           C  
HETATM    9  C   UNL     1       2.825  -0.047  -0.137  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.551   0.304   1.031  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.062   0.415   0.807  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.970  -1.087  -1.095  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.454  -1.260  -0.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.946  -0.839   0.160  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.888  -1.931  -0.419  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.622  -0.839   0.029  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.935   0.253   0.546  1.00  0.00           C  
HETATM   18  O   UNL     1       4.142   3.122  -1.017  1.00  0.00           O  
HETATM   19  N   UNL     1       4.118   2.029  -0.117  1.00  0.00           N  
HETATM   20  O   UNL     1       4.105   1.314   1.983  1.00  0.00           O  
HETATM   21  C   UNL     1       6.583   0.530  -0.730  1.00  0.00           C  
HETATM   22  C   UNL     1       7.797  -0.215  -0.240  1.00  0.00           C  
HETATM   23  N   UNL     1       8.242  -1.243  -0.934  1.00  0.00           N  
HETATM   24  C   UNL     1       9.305  -1.922  -0.536  1.00  0.00           C  
HETATM   25  F   UNL     1      11.045  -2.203   1.067  1.00  0.00           F  
HETATM   26  N   UNL     1       8.385   0.179   0.872  1.00  0.00           N  
HETATM   27  S   UNL     1       1.365   0.762  -0.847  1.00  0.00           S  
HETATM   28  O   UNL     1       1.207   2.067  -0.309  1.00  0.00           O  
HETATM   29  N   UNL     1       0.082  -0.090  -0.237  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.561  -0.839   0.227  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.653   0.326   0.446  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.165   0.142   0.291  1.00  0.00           C  
HETATM   33  F   UNL     1     -10.577  -0.974   1.026  1.00  0.00           F  
HETATM   34  F   UNL     1     -10.823   1.282   0.764  1.00  0.00           F  
HETATM   35  F   UNL     1     -10.475  -0.049  -1.060  1.00  0.00           F  
HETATM   36  N   UNL     1      -4.613   0.219   0.595  1.00  0.00           N  
HETATM   37  H   UNL     1       4.141   3.261   1.591  1.00  0.00           H  
HETATM   38  H   UNL     1       4.091   0.677  -1.721  1.00  0.00           H  
HETATM   39  H   UNL     1       5.368  -0.044   0.954  1.00  0.00           H  
HETATM   40  H   UNL     1       5.257  -1.143  -0.442  1.00  0.00           H  
HETATM   41  H   UNL     1       9.931  -0.122   2.246  1.00  0.00           H  
HETATM   42  H   UNL     1       2.847  -1.093  -0.444  1.00  0.00           H  
HETATM   43  H   UNL     1       2.779   0.010   0.951  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.157   1.268   1.353  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.345  -0.448   1.793  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.559   0.598   1.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.270   1.239   0.124  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.178  -0.243  -1.751  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.400  -1.994  -1.521  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.242  -2.164  -0.378  1.00  0.00           H  
HETATM   51  H   UNL     1       0.003  -1.330  -1.935  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.389  -2.797  -0.827  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.473   1.119   0.903  1.00  0.00           H  
HETATM   54  H   UNL     1       4.137   2.864  -1.949  1.00  0.00           H  
HETATM   55  H   UNL     1       6.537   0.475  -1.818  1.00  0.00           H  
HETATM   56  H   UNL     1       6.648   1.574  -0.422  1.00  0.00           H  
HETATM   57  H   UNL     1       9.664  -2.764  -1.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.412   0.475   1.498  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.332   1.195  -0.127  1.00  0.00           H  
CONECT    1   20   20   19   37                                       
CONECT    2   19    9    3   38                                       
CONECT    3    2   21   39   40                                       
CONECT    4   27   27                                                 
CONECT    5   31   16                                                 
CONECT    6   15   14   14                                            
CONECT    7   25   24   24    8                                       
CONECT    8    7   26   26   41                                       
CONECT    9   27    2   42   43                                       
CONECT   10   11   29   44   45                                       
CONECT   11   30   10   46   47                                       
CONECT   12   30   13   48   49                                       
CONECT   13   12   29   50   51                                       
CONECT   14    6    6   36   30                                       
CONECT   15   16   16    6   52                                       
CONECT   16    5   15   15   17                                       
CONECT   17   16   36   36   53                                       
CONECT   18   19   54                                                 
CONECT   19   18    1    2                                            
CONECT   20    1    1                                                 
CONECT   21   22    3   55   56                                       
CONECT   22   23   23   26   21                                       
CONECT   23   24   22   22                                            
CONECT   24    7    7   23   57                                       
CONECT   25    7                                                      
CONECT   26    8    8   22                                            
CONECT   27   29    9    4    4                                       
CONECT   27   28   28                                                 
CONECT   28   27   27                                                 
CONECT   29   10   13   27                                            
CONECT   30   14   11   12                                            
CONECT   31   32    5   58   59                                       
CONECT   32   34   35   33   31                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   17   17   14                                            
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
