COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.746  -0.738  -0.035  1.00  0.00           N  
HETATM    2  C   UNL     1       2.595   0.807  -0.291  1.00  0.00           C  
HETATM    3  C   UNL     1       1.421   0.947   0.425  1.00  0.00           C  
HETATM    4  C   UNL     1       0.892  -0.132   1.109  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.196  -2.197   2.475  1.00  0.00           C  
HETATM    6  C   UNL     1       2.990  -3.605  -0.720  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.492   1.772  -0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.784   0.247  -0.104  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.498   0.445  -0.897  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.994  -1.722  -0.977  1.00  0.00           C  
HETATM   11  C   UNL     1       1.538  -1.359   1.079  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.621   2.336   0.078  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.757   1.584   0.279  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.646  -0.327  -0.697  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.255  -1.905  -0.555  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.019  -3.200  -0.649  1.00  0.00           C  
HETATM   17  C   UNL     1       2.718  -1.503   0.360  1.00  0.00           C  
HETATM   18  C   UNL     1       3.244  -0.418  -0.331  1.00  0.00           C  
HETATM   19  C   UNL     1       4.880   0.604  -1.722  1.00  0.00           C  
HETATM   20  F   UNL     1      -0.401  -0.101  -1.466  1.00  0.00           F  
HETATM   21  O   UNL     1       1.020  -2.418   1.758  1.00  0.00           O  
HETATM   22  O   UNL     1       3.355  -2.705   0.328  1.00  0.00           O  
HETATM   23  O   UNL     1       4.398  -0.554  -1.036  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.193   2.508   1.649  1.00  0.00           O  
HETATM   25  O   UNL     1       1.584   3.487   0.189  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.378   2.529  -0.701  1.00  0.00           O  
HETATM   27  S   UNL     1       0.597   2.503   0.468  1.00  0.00           S  
HETATM   28  H   UNL     1      -5.637  -0.622   0.330  1.00  0.00           H  
HETATM   29  H   UNL     1       3.005   1.652  -0.824  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.025  -0.019   1.668  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.499  -3.119   2.970  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.041  -1.418   3.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.976  -1.884   1.781  1.00  0.00           H  
HETATM   34  H   UNL     1       3.570  -4.523  -0.629  1.00  0.00           H  
HETATM   35  H   UNL     1       1.928  -3.839  -0.645  1.00  0.00           H  
HETATM   36  H   UNL     1       3.192  -3.141  -1.685  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.355  -2.464  -1.433  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.606   3.374   0.377  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.627   2.033   0.735  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.854  -3.786   0.256  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.083  -2.987  -0.754  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.674  -3.764  -1.515  1.00  0.00           H  
HETATM   43  H   UNL     1       5.805   0.358  -2.244  1.00  0.00           H  
HETATM   44  H   UNL     1       4.133   0.935  -2.444  1.00  0.00           H  
HETATM   45  H   UNL     1       5.068   1.400  -1.003  1.00  0.00           H  
CONECT    1    8   15   28                                            
CONECT    2   18   18    3   29                                       
CONECT    3    2    4    4   27                                       
CONECT    4   11    3    3   30                                       
CONECT    5   21   31   32   33                                       
CONECT    6   22   34   35   36                                       
CONECT    7   12    9    9   26                                       
CONECT    8   13   14   14    1                                       
CONECT    9    7    7   14   20                                       
CONECT   10   14   15   15   37                                       
CONECT   11   17   17    4   21                                       
CONECT   12    7   13   13   38                                       
CONECT   13   12   12    8   39                                       
CONECT   14    8    8    9   10                                       
CONECT   15   10   10   16    1                                       
CONECT   16   15   40   41   42                                       
CONECT   17   11   11   18   22                                       
CONECT   18   17    2    2   23                                       
CONECT   19   23   43   44   45                                       
CONECT   20    9                                                      
CONECT   21   11    5                                                 
CONECT   22   17    6                                                 
CONECT   23   18   19                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26    7   27                                                 
CONECT   27    3   24   24   25                                       
CONECT   27   25   26                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
