COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.744   1.880  -1.360  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.290   2.283  -0.502  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.215   3.146   0.519  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.956   3.313   1.053  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.700   1.613  -0.839  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.986   2.569   0.453  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.566   2.562   0.830  1.00  0.00           C  
HETATM    8  N   UNL     1       0.361   1.780   0.320  1.00  0.00           N  
HETATM    9  O   UNL     1       0.007   3.358   1.751  1.00  0.00           O  
HETATM   10  C   UNL     1       1.319   3.045   1.804  1.00  0.00           C  
HETATM   11  C   UNL     1       1.533   2.062   0.911  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   1.395   0.626  1.00  0.00           C  
HETATM   13  N   UNL     1       3.149   1.442  -0.826  1.00  0.00           N  
HETATM   14  C   UNL     1       4.102   0.315  -1.051  1.00  0.00           C  
HETATM   15  C   UNL     1       5.460   0.837  -0.544  1.00  0.00           C  
HETATM   16  C   UNL     1       5.349   2.374  -0.583  1.00  0.00           C  
HETATM   17  C   UNL     1       3.936   2.661  -1.131  1.00  0.00           C  
HETATM   18  C   UNL     1       3.616  -0.813  -0.122  1.00  0.00           C  
HETATM   19  C   UNL     1       2.783  -0.103   0.977  1.00  0.00           C  
HETATM   20  C   UNL     1       1.379  -0.610   0.736  1.00  0.00           C  
HETATM   21  O   UNL     1       0.400  -0.295   1.376  1.00  0.00           O  
HETATM   22  C   UNL     1       2.590  -1.652  -0.850  1.00  0.00           C  
HETATM   23  O   UNL     1       2.822  -2.382  -1.790  1.00  0.00           O  
HETATM   24  N   UNL     1       1.387  -1.462  -0.296  1.00  0.00           N  
HETATM   25  C   UNL     1       0.178  -2.133  -0.779  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.062  -3.404   0.038  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.388  -4.040  -0.383  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.674  -5.193   0.480  1.00  0.00           N1+
HETATM   29  C   UNL     1      -2.881  -5.878  -0.002  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.538  -6.123   0.447  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.891  -4.733   1.858  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.079   3.673   0.897  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.755   3.979   1.879  1.00  0.00           H  
HETATM   34  H   UNL     1       2.060   3.501   2.443  1.00  0.00           H  
HETATM   35  H   UNL     1       3.651   1.879   1.190  1.00  0.00           H  
HETATM   36  H   UNL     1       4.144   0.014  -2.098  1.00  0.00           H  
HETATM   37  H   UNL     1       3.973   2.828  -2.207  1.00  0.00           H  
HETATM   38  H   UNL     1       3.503   3.526  -0.628  1.00  0.00           H  
HETATM   39  H   UNL     1       4.437  -1.408   0.278  1.00  0.00           H  
HETATM   40  H   UNL     1       3.146  -0.314   1.983  1.00  0.00           H  
HETATM   41  H   UNL     1       5.638   0.497   0.476  1.00  0.00           H  
HETATM   42  H   UNL     1       6.263   0.500  -1.200  1.00  0.00           H  
HETATM   43  H   UNL     1       5.457   2.787   0.420  1.00  0.00           H  
HETATM   44  H   UNL     1       6.106   2.791  -1.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.677  -1.465  -0.671  1.00  0.00           H  
HETATM   46  H   UNL     1       0.303  -2.395  -1.830  1.00  0.00           H  
HETATM   47  H   UNL     1       0.751  -4.109  -0.139  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.100  -3.152   1.098  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.189  -3.306  -0.287  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.320  -4.369  -1.420  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.721  -6.220  -1.025  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.093  -6.734   0.638  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.725  -5.188   0.022  1.00  0.00           H  
HETATM   54  H   UNL     1       0.330  -5.652   0.909  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.794  -7.030   0.996  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.306  -6.378  -0.587  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.734  -4.043   1.882  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.103  -5.589   2.498  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.995  -4.224   2.216  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    1    3    3                                       
CONECT    3    4    2    2   32                                       
CONECT    4    6    6    3   33                                       
CONECT    5    6    2                                                 
CONECT    6    5    7    4    4                                       
CONECT    7    9    8    8    6                                       
CONECT    8   11    7    7                                            
CONECT    9   10    7                                                 
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10    8                                       
CONECT   12   19   13   11   35                                       
CONECT   13   12   14   17                                            
CONECT   14   13   18   15   36                                       
CONECT   15   14   16   41   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17   13   16   37   38                                       
CONECT   18   19   14   22   39                                       
CONECT   19   12   18   20   40                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   18   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   20   22   25                                            
CONECT   25   24   26   45   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   49   50                                       
CONECT   28   27   31   30   29                                       
CONECT   29   28   51   52   53                                       
CONECT   30   28   54   55   56                                       
CONECT   31   28   57   58   59                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
