COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.397   3.750   1.300  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.611   1.114   0.101  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.460  -0.197   0.515  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.542  -2.011  -0.516  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.186  -2.199  -0.428  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.223  -0.805   0.452  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.124  -0.096  -0.030  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.792  -0.744  -0.101  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.559  -3.018  -0.990  1.00  0.00           C  
HETATM   10  F   UNL     1       2.539  -4.404   0.676  1.00  0.00           F  
HETATM   11  C   UNL     1       3.498  -3.953  -0.237  1.00  0.00           C  
HETATM   12  F   UNL     1       2.936  -3.903  -1.517  1.00  0.00           F  
HETATM   13  C   UNL     1       3.964  -2.577   0.161  1.00  0.00           C  
HETATM   14  N   UNL     1       5.244  -2.359   0.384  1.00  0.00           N  
HETATM   15  C   UNL     1       5.699  -1.172   0.734  1.00  0.00           C  
HETATM   16  C   UNL     1       4.843  -0.095   0.885  1.00  0.00           C  
HETATM   17  C   UNL     1       5.380   1.254   1.287  1.00  0.00           C  
HETATM   18  N   UNL     1       5.730   2.017   0.086  1.00  0.00           N  
HETATM   19  C   UNL     1       6.233   3.262   0.202  1.00  0.00           C  
HETATM   20  C   UNL     1       6.593   4.047  -1.033  1.00  0.00           C  
HETATM   21  C   UNL     1       5.346   4.232  -1.901  1.00  0.00           C  
HETATM   22  C   UNL     1       7.138   5.418  -0.626  1.00  0.00           C  
HETATM   23  C   UNL     1       3.489  -0.271   0.663  1.00  0.00           C  
HETATM   24  C   UNL     1       3.037  -1.541   0.286  1.00  0.00           C  
HETATM   25  C   UNL     1       1.601  -1.785   0.036  1.00  0.00           C  
HETATM   26  O   UNL     1       1.232  -2.862  -0.389  1.00  0.00           O  
HETATM   27  N   UNL     1       0.700  -0.812   0.279  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.648  -1.041   0.045  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.614  -0.177   0.238  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.282   1.225  -0.446  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.524   1.823  -0.378  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.966   1.770   0.167  1.00  0.00           C  
HETATM   33  F   UNL     1      -8.124   2.390   1.411  1.00  0.00           F  
HETATM   34  F   UNL     1      -8.070   2.728  -0.848  1.00  0.00           F  
HETATM   35  F   UNL     1      -8.962   0.802  -0.002  1.00  0.00           F  
HETATM   36  H   UNL     1      -7.312  -0.746   0.889  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.700  -3.006  -0.659  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.106  -1.829   0.776  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.851  -3.659  -0.158  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.436  -2.496  -1.372  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.125  -3.627  -1.783  1.00  0.00           H  
HETATM   42  H   UNL     1       4.347  -4.637  -0.240  1.00  0.00           H  
HETATM   43  H   UNL     1       6.756  -1.038   0.907  1.00  0.00           H  
HETATM   44  H   UNL     1       4.621   1.794   1.852  1.00  0.00           H  
HETATM   45  H   UNL     1       6.268   1.122   1.905  1.00  0.00           H  
HETATM   46  H   UNL     1       5.598   1.627  -0.792  1.00  0.00           H  
HETATM   47  H   UNL     1       7.352   3.507  -1.599  1.00  0.00           H  
HETATM   48  H   UNL     1       4.587   4.772  -1.335  1.00  0.00           H  
HETATM   49  H   UNL     1       5.606   4.800  -2.794  1.00  0.00           H  
HETATM   50  H   UNL     1       4.957   3.256  -2.191  1.00  0.00           H  
HETATM   51  H   UNL     1       8.026   5.286  -0.008  1.00  0.00           H  
HETATM   52  H   UNL     1       7.398   5.985  -1.519  1.00  0.00           H  
HETATM   53  H   UNL     1       6.379   5.957  -0.060  1.00  0.00           H  
HETATM   54  H   UNL     1       2.798   0.552   0.774  1.00  0.00           H  
HETATM   55  H   UNL     1       0.994   0.047   0.619  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.435   1.780  -0.820  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.648   2.846  -0.700  1.00  0.00           H  
CONECT    1   19   19                                                 
CONECT    2   32    3    3   31                                       
CONECT    3    2    2    6   36                                       
CONECT    4    8    8    9    5                                       
CONECT    5    4   28   37                                            
CONECT    6    3    7    7   38                                       
CONECT    7    6    6   30    8                                       
CONECT    8    7   29    4    4                                       
CONECT    9    4   39   40   41                                       
CONECT   10   11                                                      
CONECT   11   12   13   10   42                                       
CONECT   12   11                                                      
CONECT   13   24   24   14   11                                       
CONECT   14   15   15   13                                            
CONECT   15   16   14   14   43                                       
CONECT   16   17   23   23   15                                       
CONECT   17   18   16   44   45                                       
CONECT   18   19   17   46                                            
CONECT   19   20    1    1   18                                       
CONECT   20   22   21   19   47                                       
CONECT   21   20   48   49   50                                       
CONECT   22   20   51   52   53                                       
CONECT   23   16   16   24   54                                       
CONECT   24   23   25   13   13                                       
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   55                                            
CONECT   28   29   29    5   27                                       
CONECT   29    8   28   28                                            
CONECT   30   31   31    7   56                                       
CONECT   31    2   30   30   57                                       
CONECT   32   33   34   35    2                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
