COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.103  -0.109   0.207  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.050   1.054  -0.561  1.00  0.00           C  
HETATM    3  C   UNL     1       9.379   0.837   0.238  1.00  0.00           C  
HETATM    4  C   UNL     1       7.888   1.044   0.290  1.00  0.00           C  
HETATM    5  C   UNL     1       7.369   2.326   0.275  1.00  0.00           C  
HETATM    6  C   UNL     1       6.003   2.520   0.323  1.00  0.00           C  
HETATM    7  C   UNL     1       7.041  -0.048   0.345  1.00  0.00           C  
HETATM    8  C   UNL     1       5.673   0.139   0.392  1.00  0.00           C  
HETATM    9  C   UNL     1       5.148   1.426   0.384  1.00  0.00           C  
HETATM   10  C   UNL     1       2.759  -0.025   0.514  1.00  0.00           C  
HETATM   11  C   UNL     1       2.630  -2.063  -0.743  1.00  0.00           C  
HETATM   12  C   UNL     1       3.044  -2.695  -2.074  1.00  0.00           C  
HETATM   13  C   UNL     1       1.105  -2.105  -0.611  1.00  0.00           C  
HETATM   14  C   UNL     1       0.695  -1.417   0.695  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.577  -0.453   0.243  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.849  -0.813   0.579  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.220   1.710  -0.901  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.444   1.213  -0.477  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.501   0.058   0.287  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.335  -0.605   0.630  1.00  0.00           C  
HETATM   21  C   UNL     1       1.239   0.015   0.697  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.858   1.539  -0.973  1.00  0.00           F  
HETATM   23  F   UNL     1      -5.171   2.836  -1.645  1.00  0.00           F  
HETATM   24  F   UNL     1      -7.584   1.857  -0.810  1.00  0.00           F  
HETATM   25  F   UNL     1      -7.695  -0.422   0.697  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.392  -1.731   1.374  1.00  0.00           F  
HETATM   27  N   UNL     1      -0.767  -1.386   0.794  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.740  -1.934   1.314  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.496  -2.241   1.420  1.00  0.00           N  
HETATM   30  O   UNL     1       3.073  -0.705  -0.703  1.00  0.00           O  
HETATM   31  O   UNL     1       4.469  -2.761  -2.147  1.00  0.00           O  
HETATM   32  O   UNL     1       0.510  -1.424  -1.717  1.00  0.00           O  
HETATM   33  O   UNL     1       0.925   0.643   1.942  1.00  0.00           O  
HETATM   34  S   UNL     1       3.404   1.669   0.445  1.00  0.00           S  
HETATM   35  H   UNL     1       9.778   0.814   1.253  1.00  0.00           H  
HETATM   36  H   UNL     1       9.598  -0.108  -0.259  1.00  0.00           H  
HETATM   37  H   UNL     1       9.841   1.654  -0.315  1.00  0.00           H  
HETATM   38  H   UNL     1       8.033   3.177   0.228  1.00  0.00           H  
HETATM   39  H   UNL     1       5.598   3.522   0.312  1.00  0.00           H  
HETATM   40  H   UNL     1       7.449  -1.047   0.352  1.00  0.00           H  
HETATM   41  H   UNL     1       5.012  -0.714   0.435  1.00  0.00           H  
HETATM   42  H   UNL     1       3.212  -0.553   1.353  1.00  0.00           H  
HETATM   43  H   UNL     1       3.081  -2.618   0.079  1.00  0.00           H  
HETATM   44  H   UNL     1       2.630  -3.701  -2.142  1.00  0.00           H  
HETATM   45  H   UNL     1       2.665  -2.090  -2.897  1.00  0.00           H  
HETATM   46  H   UNL     1       0.769  -3.142  -0.598  1.00  0.00           H  
HETATM   47  H   UNL     1       1.106  -1.965   1.542  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.277   0.401  -0.347  1.00  0.00           H  
HETATM   49  H   UNL     1       0.789   0.577  -0.120  1.00  0.00           H  
HETATM   50  H   UNL     1       4.804  -3.152  -2.966  1.00  0.00           H  
HETATM   51  H   UNL     1       0.732  -1.804  -2.578  1.00  0.00           H  
HETATM   52  H   UNL     1       1.244   1.553   2.015  1.00  0.00           H  
CONECT    1   16    2    2   20                                       
CONECT    2   22    1    1   17                                       
CONECT    3    4   35   36   37                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    9    9   39                                       
CONECT    7    4    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    6    6    8   34                                       
CONECT   10   34   21   30   42                                       
CONECT   11   30   13   12   43                                       
CONECT   12   11   31   44   45                                       
CONECT   13   14   11   32   46                                       
CONECT   14   21   27   13   47                                       
CONECT   15   27   16   16   48                                       
CONECT   16   28   15   15    1                                       
CONECT   17    2   23   18   18                                       
CONECT   18   17   17   19   24                                       
CONECT   19   20   20   18   25                                       
CONECT   20    1   26   19   19                                       
CONECT   21   33   10   14   49                                       
CONECT   22    2                                                      
CONECT   23   17                                                      
CONECT   24   18                                                      
CONECT   25   19                                                      
CONECT   26   20                                                      
CONECT   27   29   14   15                                            
CONECT   28   29   29   16                                            
CONECT   29   28   28   27                                            
CONECT   30   10   11                                                 
CONECT   31   12   50                                                 
CONECT   32   13   51                                                 
CONECT   33   21   52                                                 
CONECT   34    9   10                                                 
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   21                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
