COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.372   0.488   0.914  1.00  0.00           C  
HETATM    2  C   UNL     1       3.636  -0.157  -1.181  1.00  0.00           C  
HETATM    3  C   UNL     1       3.597  -1.626  -0.742  1.00  0.00           C  
HETATM    4  C   UNL     1       2.351  -1.869   0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       2.341  -0.984   1.339  1.00  0.00           C  
HETATM    6  C   UNL     1       1.133  -4.102  -0.763  1.00  0.00           C  
HETATM    7  C   UNL     1       0.509  -2.771  -1.133  1.00  0.00           C  
HETATM    8  C   UNL     1       4.429   1.648   0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       5.593   1.847  -0.666  1.00  0.00           C  
HETATM   10  C   UNL     1       0.622  -0.343  -0.989  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.492  -0.008  -0.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.507   0.260   0.800  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.623   0.644   1.762  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.334   0.471   1.220  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.976   0.270   0.921  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.601  -0.309   2.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.985  -0.299   2.129  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.777   0.273   1.182  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.213   0.878   0.046  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.805   0.896  -0.107  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.018   1.473  -0.941  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.434   2.050  -2.028  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.050   2.060  -2.178  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.239   1.503  -1.234  1.00  0.00           C  
HETATM   25  N   UNL     1       3.512   0.694   0.010  1.00  0.00           N  
HETATM   26  N   UNL     1       1.134  -1.684  -0.692  1.00  0.00           N  
HETATM   27  O   UNL     1       4.316   2.345   1.255  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.505  -2.702  -1.795  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.805  -0.131  -0.282  1.00  0.00           O  
HETATM   30  S   UNL     1       2.276  -3.632   0.598  1.00  0.00           S  
HETATM   31  H   UNL     1       1.446   0.739   0.396  1.00  0.00           H  
HETATM   32  H   UNL     1       2.484   1.121   1.794  1.00  0.00           H  
HETATM   33  H   UNL     1       4.582   0.049  -1.682  1.00  0.00           H  
HETATM   34  H   UNL     1       2.808   0.043  -1.861  1.00  0.00           H  
HETATM   35  H   UNL     1       3.572  -2.268  -1.623  1.00  0.00           H  
HETATM   36  H   UNL     1       3.217  -1.204   1.950  1.00  0.00           H  
HETATM   37  H   UNL     1       0.375  -4.801  -0.409  1.00  0.00           H  
HETATM   38  H   UNL     1       1.684  -4.520  -1.606  1.00  0.00           H  
HETATM   39  H   UNL     1       6.177   0.929  -0.721  1.00  0.00           H  
HETATM   40  H   UNL     1       5.222   2.102  -1.659  1.00  0.00           H  
HETATM   41 CL   UNL     1       6.634   3.186  -0.053  1.00  0.00          Cl  
HETATM   42  H   UNL     1       0.242  -0.318  -2.010  1.00  0.00           H  
HETATM   43  H   UNL     1       1.425   0.385  -0.881  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.863   1.011   2.749  1.00  0.00           H  
HETATM   45  H   UNL     1       0.603   0.682   1.714  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.005  -0.773   2.790  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.446  -0.758   2.991  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.850   0.260   1.304  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.093   1.472  -0.839  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.055   2.506  -2.785  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.612   2.524  -3.049  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.167   1.518  -1.362  1.00  0.00           H  
HETATM   53  H   UNL     1       4.485  -1.852  -0.152  1.00  0.00           H  
HETATM   54  H   UNL     1       1.437  -1.177   1.916  1.00  0.00           H  
CONECT    1    5   25   31   32                                       
CONECT    2    3   25   33   34                                       
CONECT    3    2    4   35   53                                       
CONECT    4    3    5   26   30                                       
CONECT    5    1    4   36   54                                       
CONECT    6    7   30   37   38                                       
CONECT    7    6   26   28   28                                       
CONECT    8    9   25   27   27                                       
CONECT    9    8   39   40   41                                       
CONECT   10   11   26   42   43                                       
CONECT   11   10   14   14   29                                       
CONECT   12   13   13   15   29                                       
CONECT   13   12   12   14   44                                       
CONECT   14   11   11   13   45                                       
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   18   18   47                                       
CONECT   18   17   17   19   48                                       
CONECT   19   18   20   20   21                                       
CONECT   20   15   19   19   24                                       
CONECT   21   19   22   22   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   24   51                                       
CONECT   24   20   23   23   52                                       
CONECT   25    1    2    8                                            
CONECT   26    4    7   10                                            
CONECT   27    8    8                                                 
CONECT   28    7    7                                                 
CONECT   29   11   12                                                 
CONECT   30    4    6                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
