COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -3.377  -2.950   0.181  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.323  -1.709   1.393  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.698  -1.995   2.694  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.654  -1.006   3.658  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.235   0.268   3.324  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859   0.554   2.025  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.898  -0.435   1.060  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.482  -0.124  -0.355  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.539   1.323  -0.574  1.00  0.00           N  
HETATM   10  S   UNL     1      -3.891   2.007  -1.240  1.00  0.00           S  
HETATM   11  O   UNL     1      -3.579   3.391  -1.322  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.132   1.240  -2.411  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.195   1.721  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.620   2.137  -0.384  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.244   0.654  -0.331  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.075  -0.613  -0.584  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.770  -1.740  -1.195  1.00  0.00           C  
HETATM   18  S   UNL     1       0.365   0.250  -0.078  1.00  0.00           S  
HETATM   19  C   UNL     1       1.422  -0.997  -0.729  1.00  0.00           C  
HETATM   20  C   UNL     1       0.655  -2.011  -1.304  1.00  0.00           C  
HETATM   21  C   UNL     1       1.311  -3.115  -1.890  1.00  0.00           C  
HETATM   22  C   UNL     1       2.681  -3.192  -1.893  1.00  0.00           C  
HETATM   23  C   UNL     1       3.446  -2.187  -1.322  1.00  0.00           C  
HETATM   24  C   UNL     1       2.828  -1.089  -0.743  1.00  0.00           C  
HETATM   25  C   UNL     1       3.647  -0.015  -0.133  1.00  0.00           C  
HETATM   26  C   UNL     1       5.037  -0.115  -0.144  1.00  0.00           C  
HETATM   27  N   UNL     1       3.051   1.036   0.415  1.00  0.00           N  
HETATM   28  C   UNL     1       3.742   2.012   0.967  1.00  0.00           C  
HETATM   29  C   UNL     1       5.124   1.975   0.995  1.00  0.00           C  
HETATM   30  C   UNL     1       5.788   0.896   0.429  1.00  0.00           C  
HETATM   31  C   UNL     1       7.293   0.825   0.442  1.00  0.00           C  
HETATM   32  C   UNL     1       7.872   2.241   0.414  1.00  0.00           C  
HETATM   33  C   UNL     1       7.759   0.109   1.712  1.00  0.00           C  
HETATM   34  O   UNL     1       7.746   0.102  -0.704  1.00  0.00           O  
HETATM   35  H   UNL     1      -4.027  -2.990   2.955  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.948  -1.229   4.674  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.201   1.041   4.078  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.532   1.550   1.765  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.158  -0.624  -1.049  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.784   1.880  -0.328  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.894   1.834   1.029  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.256   2.523   0.412  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.774   2.582  -1.367  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.151   0.124  -1.280  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.633   0.065   0.500  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.521  -2.411  -1.585  1.00  0.00           H  
HETATM   47  H   UNL     1       0.730  -3.907  -2.339  1.00  0.00           H  
HETATM   48  H   UNL     1       3.168  -4.043  -2.345  1.00  0.00           H  
HETATM   49  H   UNL     1       4.523  -2.258  -1.330  1.00  0.00           H  
HETATM   50  H   UNL     1       5.521  -0.969  -0.594  1.00  0.00           H  
HETATM   51  H   UNL     1       3.223   2.853   1.404  1.00  0.00           H  
HETATM   52  H   UNL     1       5.682   2.780   1.451  1.00  0.00           H  
HETATM   53  H   UNL     1       7.540   2.750  -0.491  1.00  0.00           H  
HETATM   54  H   UNL     1       7.526   2.792   1.288  1.00  0.00           H  
HETATM   55  H   UNL     1       8.960   2.189   0.423  1.00  0.00           H  
HETATM   56  H   UNL     1       8.848   0.058   1.722  1.00  0.00           H  
HETATM   57  H   UNL     1       7.414   0.661   2.587  1.00  0.00           H  
HETATM   58  H   UNL     1       7.347  -0.899   1.733  1.00  0.00           H  
HETATM   59  H   UNL     1       7.487   0.499  -1.547  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   35                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    7   38                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7   16    9   39                                       
CONECT    9    8   10   40                                            
CONECT   10    9   12   12   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10   15   41                                       
CONECT   14   15   13   42   43                                       
CONECT   15   14   13   44   45                                       
CONECT   16   18    8   17   17                                       
CONECT   17   16   16   20   46                                       
CONECT   18   19   16                                                 
CONECT   19   24   18   20   20                                       
CONECT   20   19   19   21   17                                       
CONECT   21   22   22   20   47                                       
CONECT   22   23   21   21   48                                       
CONECT   23   24   24   22   49                                       
CONECT   24   25   23   23   19                                       
CONECT   25   26   26   27   24                                       
CONECT   26   30   25   25   50                                       
CONECT   27   28   28   25                                            
CONECT   28   29   27   27   51                                       
CONECT   29   30   30   28   52                                       
CONECT   30   31   29   29   26                                       
CONECT   31   33   32   34   30                                       
CONECT   32   31   53   54   55                                       
CONECT   33   31   56   57   58                                       
CONECT   34   31   59                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
