COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.621  -0.021   0.126  1.00  0.00           C  
HETATM    2  C   UNL     1       7.202  -0.025   1.541  1.00  0.00           C  
HETATM    3  C   UNL     1       6.936   1.315  -0.550  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.215  -0.551   0.042  1.00  0.00           N  
HETATM    5  C   UNL     1       7.242  -1.161  -0.684  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.466   1.647   0.309  1.00  0.00           O  
HETATM    7  C   UNL     1       0.894  -0.744   0.393  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.584  -0.147  -0.603  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.391   0.934  -0.294  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.735   0.708   0.033  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.134  -1.448  -0.591  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.619  -0.790   0.383  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.519  -0.054  -0.612  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.911  -2.291   0.321  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.895  -0.275   1.797  1.00  0.00           C  
HETATM   16  C   UNL     1       5.128  -0.209   0.195  1.00  0.00           C  
HETATM   17  C   UNL     1       4.347   0.703   0.880  1.00  0.00           C  
HETATM   18  C   UNL     1       2.977   0.530   0.943  1.00  0.00           C  
HETATM   19  C   UNL     1       2.388  -0.555   0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       3.169  -1.468  -0.361  1.00  0.00           C  
HETATM   21  C   UNL     1       4.538  -1.292  -0.430  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.386  -1.631  -0.278  1.00  0.00           N  
HETATM   23  S   UNL     1       0.114   0.096  -1.008  1.00  0.00           S  
HETATM   24 CL   UNL     1      -1.744   2.546  -0.301  1.00  0.00          Cl  
HETATM   25  H   UNL     1       6.978  -0.977   2.023  1.00  0.00           H  
HETATM   26  H   UNL     1       8.283   0.111   1.491  1.00  0.00           H  
HETATM   27  H   UNL     1       6.760   0.787   2.118  1.00  0.00           H  
HETATM   28  H   UNL     1       6.494   2.127   0.026  1.00  0.00           H  
HETATM   29  H   UNL     1       8.016   1.452  -0.601  1.00  0.00           H  
HETATM   30  H   UNL     1       6.522   1.318  -1.559  1.00  0.00           H  
HETATM   31  H   UNL     1       6.828  -1.158  -1.692  1.00  0.00           H  
HETATM   32  H   UNL     1       8.323  -1.025  -0.734  1.00  0.00           H  
HETATM   33  H   UNL     1       7.018  -2.113  -0.202  1.00  0.00           H  
HETATM   34  H   UNL     1       0.660  -1.808   0.355  1.00  0.00           H  
HETATM   35  H   UNL     1       0.518  -0.323   1.325  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.511  -2.297  -0.830  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.322  -0.421  -1.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.564  -0.232  -0.358  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.311   1.015  -0.568  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.270  -2.815   1.030  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.956  -2.468   0.575  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.714  -2.658  -0.687  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.688   0.794   1.842  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.940  -0.453   2.051  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.255  -0.799   2.506  1.00  0.00           H  
HETATM   46  H   UNL     1       4.807   1.551   1.365  1.00  0.00           H  
HETATM   47  H   UNL     1       2.367   1.243   1.478  1.00  0.00           H  
HETATM   48  H   UNL     1       2.708  -2.316  -0.846  1.00  0.00           H  
HETATM   49  H   UNL     1       5.148  -2.005  -0.965  1.00  0.00           H  
CONECT    1    5   16    2    3                                       
CONECT    2    1   25   26   27                                       
CONECT    3    1   28   29   30                                       
CONECT    4   22   10   12                                            
CONECT    5    1   31   32   33                                       
CONECT    6   10   10                                                 
CONECT    7   19   23   34   35                                       
CONECT    8   23   11    9    9                                       
CONECT    9    8    8   24   10                                       
CONECT   10    9    4    6    6                                       
CONECT   11    8   22   22   36                                       
CONECT   12    4   14   15   13                                       
CONECT   13   12   37   38   39                                       
CONECT   14   12   40   41   42                                       
CONECT   15   12   43   44   45                                       
CONECT   16   21    1   17   17                                       
CONECT   17   16   16   18   46                                       
CONECT   18   19   19   17   47                                       
CONECT   19   20    7   18   18                                       
CONECT   20   21   21   19   48                                       
CONECT   21   20   20   16   49                                       
CONECT   22   11   11    4                                            
CONECT   23    7    8                                                 
CONECT   24    9                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
