COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.761   4.976  -1.094  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.070  -1.150  -0.489  1.00  0.00           N  
HETATM    3  C   UNL     1       3.682   1.491   0.859  1.00  0.00           C  
HETATM    4  C   UNL     1       4.197   2.721   1.277  1.00  0.00           C  
HETATM    5  C   UNL     1       3.610   3.891   0.904  1.00  0.00           C  
HETATM    6  C   UNL     1       2.469   3.864   0.086  1.00  0.00           C  
HETATM    7  C   UNL     1       1.825   5.040  -0.329  1.00  0.00           C  
HETATM    8  C   UNL     1       0.797   2.617  -1.161  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.094  -0.503  -1.733  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.609  -2.480  -0.078  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.472  -3.717   0.172  1.00  0.00           C  
HETATM   12  C   UNL     1       0.907  -1.913  -1.383  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.446  -1.714  -1.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.733  -0.847   0.101  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.208  -0.594   0.910  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.431   1.168   1.480  1.00  0.00           C  
HETATM   17  C   UNL     1       1.946   2.615  -0.339  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.196   1.056   0.113  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.714   0.731  -0.952  1.00  0.00           C  
HETATM   20  C   UNL     1       1.565  -3.004  -0.854  1.00  0.00           C  
HETATM   21 CL   UNL     1       3.256  -3.239  -1.168  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.872  -3.910  -0.070  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.136  -2.623  -0.366  1.00  0.00           C  
HETATM   24  S   UNL     1      -4.064  -0.246   0.480  1.00  0.00           S  
HETATM   25  O   UNL     1      -3.691  -0.610   1.801  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.735  -0.211   1.068  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.197   2.233   1.799  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.402  -1.127   2.096  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.895   1.085   0.011  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.610  -0.647  -1.795  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.533  -0.255  -3.148  1.00  0.00           C  
HETATM   32  C   UNL     1       0.610   0.746  -2.861  1.00  0.00           C  
HETATM   33  N   UNL     1       0.237   1.418  -1.610  1.00  0.00           N  
HETATM   34  C   UNL     1       0.242   3.829  -1.511  1.00  0.00           C  
HETATM   35  C   UNL     1       2.572   1.429   0.062  1.00  0.00           C  
HETATM   36  O   UNL     1       4.292   0.341   1.249  1.00  0.00           O  
HETATM   37  C   UNL     1       5.447   0.469   2.080  1.00  0.00           C  
HETATM   38  C   UNL     1       5.992  -0.921   2.414  1.00  0.00           C  
HETATM   39  N   UNL     1       6.469  -1.568   1.185  1.00  0.00           N  
HETATM   40  C   UNL     1       7.631  -0.860   0.633  1.00  0.00           C  
HETATM   41  C   UNL     1       6.778  -2.984   1.421  1.00  0.00           C  
HETATM   42  H   UNL     1       5.075   2.744   1.906  1.00  0.00           H  
HETATM   43  H   UNL     1       4.019   4.834   1.235  1.00  0.00           H  
HETATM   44  H   UNL     1       2.207   6.001  -0.017  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.783  -2.609   0.991  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.160  -3.241  -0.629  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.013  -4.424   0.784  1.00  0.00           H  
HETATM   48  H   UNL     1       1.451  -1.204  -1.990  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.994  -0.576  -0.922  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.762  -1.931   0.208  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.952   0.176   1.113  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.464  -1.298   0.119  1.00  0.00           H  
HETATM   53  H   UNL     1       1.382  -4.764   0.351  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.615  -0.707   3.079  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.127  -2.181   2.085  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.882  -1.352  -2.580  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.065   0.324  -1.996  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.144  -1.176  -3.582  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.288   0.190  -3.795  1.00  0.00           H  
HETATM   60  H   UNL     1       1.554   0.216  -2.737  1.00  0.00           H  
HETATM   61  H   UNL     1       0.688   1.472  -3.670  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.636   3.846  -2.139  1.00  0.00           H  
HETATM   63  H   UNL     1       2.182   0.473  -0.256  1.00  0.00           H  
HETATM   64  H   UNL     1       6.211   1.043   1.556  1.00  0.00           H  
HETATM   65  H   UNL     1       5.175   0.984   3.002  1.00  0.00           H  
HETATM   66  H   UNL     1       6.818  -0.828   3.119  1.00  0.00           H  
HETATM   67  H   UNL     1       5.201  -1.524   2.859  1.00  0.00           H  
HETATM   68  H   UNL     1       8.439  -0.863   1.366  1.00  0.00           H  
HETATM   69  H   UNL     1       7.964  -1.360  -0.276  1.00  0.00           H  
HETATM   70  H   UNL     1       7.354   0.169   0.402  1.00  0.00           H  
HETATM   71  H   UNL     1       5.881  -3.500   1.763  1.00  0.00           H  
HETATM   72  H   UNL     1       7.129  -3.439   0.495  1.00  0.00           H  
HETATM   73  H   UNL     1       7.555  -3.064   2.182  1.00  0.00           H  
CONECT    1    7   34   34                                            
CONECT    2   30   24   10                                            
CONECT    3    4   36   35   35                                       
CONECT    4    5    5    3   42                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5    7    7   17                                       
CONECT    7    6    6    1   44                                       
CONECT    8   17   17   34   33                                       
CONECT    9   31   19   30   13                                       
CONECT   10    2   23   45   46                                       
CONECT   11   23   23   22   47                                       
CONECT   12   13   13   20   48                                       
CONECT   13    9   12   12   23                                       
CONECT   14   26   24   49   50                                       
CONECT   15   28   26   51   52                                       
CONECT   16   26   27   27   27                                       
CONECT   17    6   35    8    8                                       
CONECT   18   19   19                                                 
CONECT   19   33    9   18   18                                       
CONECT   20   12   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20   11   53                                       
CONECT   23   13   10   11   11                                       
CONECT   24   29   29   14    2                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   15   28   14   16                                       
CONECT   27   16   16   16                                            
CONECT   28   15   26   54   55                                       
CONECT   29   24   24                                                 
CONECT   30    9    2   56   57                                       
CONECT   31   32    9   58   59                                       
CONECT   32   33   31   60   61                                       
CONECT   33    8   32   19                                            
CONECT   34    1    1    8   62                                       
CONECT   35    3    3   17   63                                       
CONECT   36    3   37                                                 
CONECT   37   36   38   64   65                                       
CONECT   38   37   39   66   67                                       
CONECT   39   38   41   40                                            
CONECT   40   39   68   69   70                                       
CONECT   41   39   71   72   73                                       
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   22                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
