COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.506  -4.579  -1.043  1.00  0.00           C  
HETATM    2  C   UNL     1       3.097  -3.910   0.199  1.00  0.00           C  
HETATM    3  C   UNL     1       2.363  -4.409   1.445  1.00  0.00           C  
HETATM    4  C   UNL     1       4.583  -4.260   0.308  1.00  0.00           C  
HETATM    5  C   UNL     1       2.940  -2.415   0.087  1.00  0.00           C  
HETATM    6  C   UNL     1       1.837  -0.487  -0.108  1.00  0.00           C  
HETATM    7  C   UNL     1       3.106   0.040  -0.069  1.00  0.00           C  
HETATM    8  C   UNL     1       3.457   1.469  -0.147  1.00  0.00           C  
HETATM    9  C   UNL     1       4.798   1.870  -0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       5.078   3.221  -0.288  1.00  0.00           C  
HETATM   11  C   UNL     1       2.819   3.685  -0.226  1.00  0.00           C  
HETATM   12  C   UNL     1       0.617   0.343  -0.238  1.00  0.00           C  
HETATM   13  N   UNL     1       1.806   4.628  -0.237  1.00  0.00           N  
HETATM   14  O   UNL     1      -4.246   2.270   0.292  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.970   0.749   2.139  1.00  0.00           O  
HETATM   16  C   UNL     1       0.493   1.243  -1.298  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.925  -1.439   0.185  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.414   0.223   0.694  1.00  0.00           C  
HETATM   19  N   UNL     1       1.810  -1.805  -0.019  1.00  0.00           N  
HETATM   20  N   UNL     1       4.079   4.091  -0.291  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.644   2.015  -1.418  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.664   1.902  -0.491  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.554   1.005   0.564  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.473  -0.235  -0.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.266  -0.065  -1.526  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.548  -1.132  -2.276  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.303  -0.650   1.718  1.00  0.00           F  
HETATM   28  N   UNL     1       2.503   2.402  -0.160  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.591   0.890   1.495  1.00  0.00           N  
HETATM   30  S   UNL     1       4.236  -1.302   0.093  1.00  0.00           S  
HETATM   31  S   UNL     1      -4.166   1.043   1.005  1.00  0.00           S  
HETATM   32  S   UNL     1      -5.104  -2.445  -1.247  1.00  0.00           S  
HETATM   33  H   UNL     1       3.029  -4.224  -1.931  1.00  0.00           H  
HETATM   34  H   UNL     1       2.619  -5.660  -0.962  1.00  0.00           H  
HETATM   35  H   UNL     1       1.447  -4.330  -1.121  1.00  0.00           H  
HETATM   36  H   UNL     1       2.477  -5.490   1.526  1.00  0.00           H  
HETATM   37  H   UNL     1       2.785  -3.932   2.330  1.00  0.00           H  
HETATM   38  H   UNL     1       1.305  -4.159   1.368  1.00  0.00           H  
HETATM   39  H   UNL     1       5.106  -3.905  -0.580  1.00  0.00           H  
HETATM   40  H   UNL     1       5.005  -3.783   1.193  1.00  0.00           H  
HETATM   41  H   UNL     1       4.696  -5.341   0.389  1.00  0.00           H  
HETATM   42  H   UNL     1       5.595   1.140  -0.210  1.00  0.00           H  
HETATM   43  H   UNL     1       6.101   3.564  -0.341  1.00  0.00           H  
HETATM   44  H   UNL     1       0.883   4.351  -0.124  1.00  0.00           H  
HETATM   45  H   UNL     1       2.018   5.567  -0.359  1.00  0.00           H  
HETATM   46  H   UNL     1       1.287   1.335  -2.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.142  -1.751   1.196  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.737   2.711  -2.238  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.552   2.509  -0.591  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.902   0.861  -1.947  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.448  -1.182  -3.350  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.388   0.720   2.428  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3    5    4                                       
CONECT    3    2   36   37   38                                       
CONECT    4    2   39   40   41                                       
CONECT    5   30    2   19   19                                       
CONECT    6    7    7   19   12                                       
CONECT    7   30    8    6    6                                       
CONECT    8   28    7    9    9                                       
CONECT    9    8    8   10   42                                       
CONECT   10   20   20    9   43                                       
CONECT   11   13   28   28   20                                       
CONECT   12    6   18   18   16                                       
CONECT   13   11   44   45                                            
CONECT   14   31   31                                                 
CONECT   15   31   31                                                 
CONECT   16   12   21   21   46                                       
CONECT   17   32   24   24   47                                       
CONECT   18   27   12   12   23                                       
CONECT   19    5    5    6                                            
CONECT   20   11   10   10                                            
CONECT   21   16   16   22   48                                       
CONECT   22   23   23   21   49                                       
CONECT   23   18   29   22   22                                       
CONECT   24   25   17   17   31                                       
CONECT   25   26   26   24   50                                       
CONECT   26   25   25   32   51                                       
CONECT   27   18                                                      
CONECT   28   11   11    8                                            
CONECT   29   23   31   52                                            
CONECT   30    5    7                                                 
CONECT   31   24   29   15   15                                       
CONECT   31   14   14                                                 
CONECT   32   26   17                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
