COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.523  -0.903  -0.227  1.00  0.00           C  
HETATM    2  C   UNL     1       6.167  -0.544   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1       5.086  -0.446  -0.587  1.00  0.00           C  
HETATM    4  C   UNL     1       3.926  -0.091   0.087  1.00  0.00           C  
HETATM    5  C   UNL     1       4.083   0.091   1.413  1.00  0.00           C  
HETATM    6  C   UNL     1       2.620   0.075  -0.597  1.00  0.00           C  
HETATM    7  C   UNL     1       2.519  -0.132  -1.972  1.00  0.00           C  
HETATM    8  C   UNL     1       1.303   0.023  -2.607  1.00  0.00           C  
HETATM    9  C   UNL     1       0.182   0.384  -1.883  1.00  0.00           C  
HETATM   10  C   UNL     1       0.273   0.592  -0.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.857   1.644  -0.382  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.016   2.157   0.433  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.171   2.709  -0.419  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.459   4.071  -0.361  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.816   3.590   0.954  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.048   0.097   1.019  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.475  -0.845   1.943  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.101  -1.999   1.513  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.302  -2.215   0.161  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.877  -1.276  -0.762  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.252  -0.121  -0.336  1.00  0.00           C  
HETATM   22  C   UNL     1       1.490   0.432   0.134  1.00  0.00           C  
HETATM   23  N   UNL     1       7.754  -1.151  -1.489  1.00  0.00           N  
HETATM   24  N   UNL     1       8.553  -0.972   0.689  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.864   0.957   0.217  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.818   1.848  -1.577  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.437   1.236   1.441  1.00  0.00           O  
HETATM   28  S   UNL     1       5.703  -0.185   1.873  1.00  0.00           S  
HETATM   29 CL   UNL     1      -6.089  -3.666  -0.377  1.00  0.00          Cl  
HETATM   30  H   UNL     1       5.121  -0.625  -1.651  1.00  0.00           H  
HETATM   31  H   UNL     1       3.291   0.368   2.093  1.00  0.00           H  
HETATM   32  H   UNL     1       3.393  -0.414  -2.540  1.00  0.00           H  
HETATM   33  H   UNL     1       1.227  -0.137  -3.672  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.767   0.505  -2.385  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.217   2.283  -1.421  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.134   2.697   0.091  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.741   4.223  -1.168  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.138   4.914  -0.234  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.409   3.820   1.839  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.769   3.875   1.059  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.318  -0.677   2.998  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.433  -2.734   2.232  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.035  -1.447  -1.817  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.920   0.612  -1.057  1.00  0.00           H  
HETATM   45  H   UNL     1       1.562   0.589   1.200  1.00  0.00           H  
HETATM   46  H   UNL     1       8.649  -1.387  -1.781  1.00  0.00           H  
HETATM   47  H   UNL     1       8.382  -0.784   1.626  1.00  0.00           H  
HETATM   48  H   UNL     1       9.447  -1.209   0.398  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.937   0.716   1.154  1.00  0.00           H  
CONECT    1   23   23    2   24                                       
CONECT    2   28    1    3    3                                       
CONECT    3    2    2    4   30                                       
CONECT    4    5    5    3    6                                       
CONECT    5   28    4    4   31                                       
CONECT    6    4    7    7   22                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10   22   22    9   25                                       
CONECT   11   25   26   26   12                                       
CONECT   12   11   15   27   13                                       
CONECT   13   12   14   35   36                                       
CONECT   14   15   13   37   38                                       
CONECT   15   12   14   39   40                                       
CONECT   16   27   17   17   21                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20   29                                       
CONECT   20   21   21   19   43                                       
CONECT   21   16   20   20   44                                       
CONECT   22    6   10   10   45                                       
CONECT   23    1    1   46                                            
CONECT   24    1   47   48                                            
CONECT   25   10   11   49                                            
CONECT   26   11   11                                                 
CONECT   27   12   16                                                 
CONECT   28    5    2                                                 
CONECT   29   19                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
