COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.777   0.055   0.168  1.00  0.00           N  
HETATM    2  N   UNL     1       0.972  -1.580   0.785  1.00  0.00           N  
HETATM    3  C   UNL     1       3.330   0.812  -1.628  1.00  0.00           C  
HETATM    4  C   UNL     1       2.586  -0.083  -2.375  1.00  0.00           C  
HETATM    5  C   UNL     1       1.289   0.228  -2.734  1.00  0.00           C  
HETATM    6  C   UNL     1       0.734   1.435  -2.347  1.00  0.00           C  
HETATM    7  C   UNL     1       1.479   2.330  -1.600  1.00  0.00           C  
HETATM    8  C   UNL     1       5.720  -2.229   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       2.178   0.012   2.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.193   0.719   2.579  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.949   2.916   2.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.134  -1.019   0.258  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.434  -1.781   0.248  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.453  -2.741  -0.943  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.345  -3.783  -0.776  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.770  -1.183   0.596  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.165  -0.472   0.911  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.943  -2.274   1.106  1.00  0.00           O  
HETATM   19  C   UNL     1       3.391  -1.730   0.915  1.00  0.00           C  
HETATM   20  C   UNL     1       2.206  -0.799   0.900  1.00  0.00           C  
HETATM   21  C   UNL     1       1.074   1.035   2.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.205   1.658   2.513  1.00  0.00           C  
HETATM   23  C   UNL     1       0.317   3.230   1.542  1.00  0.00           C  
HETATM   24  C   UNL     1       1.329   2.291   1.608  1.00  0.00           C  
HETATM   25  C   UNL     1       4.987   0.983   1.153  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.810  -3.446  -1.009  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.224  -1.955  -2.235  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.888  -0.242   0.483  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.016   0.581   0.675  1.00  0.00           C  
HETATM   30  C   UNL     1       4.745   0.472  -1.237  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.458   1.639   0.074  1.00  0.00           C  
HETATM   32  C   UNL     1       2.779   2.020  -1.246  1.00  0.00           C  
HETATM   33  N   UNL     1       4.597  -1.293   0.502  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.551  -0.840   0.135  1.00  0.00           N  
HETATM   35  N   UNL     1       5.153   2.228   0.844  1.00  0.00           N  
HETATM   36  O   UNL     1      -0.084   0.100  -0.207  1.00  0.00           O  
HETATM   37  O   UNL     1       3.259  -2.873   1.299  1.00  0.00           O  
HETATM   38  S   UNL     1      -4.800   1.365  -0.225  1.00  0.00           S  
HETATM   39 CL   UNL     1      -0.896   1.827  -2.799  1.00  0.00          Cl  
HETATM   40  H   UNL     1       0.951  -2.501   1.088  1.00  0.00           H  
HETATM   41  H   UNL     1       3.020  -1.025  -2.678  1.00  0.00           H  
HETATM   42  H   UNL     1       0.708  -0.470  -3.318  1.00  0.00           H  
HETATM   43  H   UNL     1       1.047   3.272  -1.297  1.00  0.00           H  
HETATM   44  H   UNL     1       6.257  -2.254   1.351  1.00  0.00           H  
HETATM   45  H   UNL     1       5.344  -3.225   0.172  1.00  0.00           H  
HETATM   46  H   UNL     1       6.396  -1.903  -0.388  1.00  0.00           H  
HETATM   47  H   UNL     1       1.999  -0.657   3.039  1.00  0.00           H  
HETATM   48  H   UNL     1       3.134   0.517   2.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.393  -0.264   2.980  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.740   3.649   1.949  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.530  -2.349   1.174  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.529  -4.368   0.125  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.334  -4.444  -1.643  1.00  0.00           H  
HETATM   54  H   UNL     1       0.618  -3.279  -0.692  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.476  -1.392   1.383  1.00  0.00           H  
HETATM   56  H   UNL     1       2.288  -0.121   0.050  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.196   1.409   2.863  1.00  0.00           H  
HETATM   58  H   UNL     1       0.517   4.213   1.141  1.00  0.00           H  
HETATM   59  H   UNL     1       2.318   2.537   1.250  1.00  0.00           H  
HETATM   60  H   UNL     1       5.015   0.675   2.188  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.599  -2.704  -1.127  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.823  -4.130  -1.857  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.973  -4.006  -0.088  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.257  -1.453  -2.188  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.237  -2.639  -3.084  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.013  -1.213  -2.354  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.059   0.557   0.953  1.00  0.00           H  
HETATM   68  H   UNL     1       5.379   1.349  -1.370  1.00  0.00           H  
HETATM   69  H   UNL     1       5.111  -0.340  -1.865  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.984   2.546  -0.183  1.00  0.00           H  
HETATM   71  H   UNL     1       3.362   2.720  -0.666  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.413   0.029  -0.272  1.00  0.00           H  
HETATM   73  H   UNL     1       5.302   2.885   1.542  1.00  0.00           H  
CONECT    1   25   33   30                                            
CONECT    2   20   12   40                                            
CONECT    3    4   30   32   32                                       
CONECT    4    5    5    3   41                                       
CONECT    5    4    4    6   42                                       
CONECT    6    5   39    7    7                                       
CONECT    7    6    6   32   43                                       
CONECT    8   33   44   45   46                                       
CONECT    9   20   21   47   48                                       
CONECT   10   21   21   22   49                                       
CONECT   11   23   22   22   50                                       
CONECT   12   36   36    2   13                                       
CONECT   13   12   34   14   51                                       
CONECT   14   26   13   15   27                                       
CONECT   15   14   52   53   54                                       
CONECT   16   34   28   18   18                                       
CONECT   17   29   28   28   55                                       
CONECT   18   16   16                                                 
CONECT   19   33   20   37   37                                       
CONECT   20   19    2    9   56                                       
CONECT   21   24    9   10   10                                       
CONECT   22   11   11   10   57                                       
CONECT   23   24   24   11   58                                       
CONECT   24   23   23   21   59                                       
CONECT   25   35   35    1   60                                       
CONECT   26   14   61   62   63                                       
CONECT   27   14   64   65   66                                       
CONECT   28   17   17   16   38                                       
CONECT   29   17   31   31   67                                       
CONECT   30    1    3   68   69                                       
CONECT   31   29   29   38   70                                       
CONECT   32    3    3    7   71                                       
CONECT   33    8    1   19                                            
CONECT   34   13   16   72                                            
CONECT   35   25   25   73                                            
CONECT   36   12   12                                                 
CONECT   37   19   19                                                 
CONECT   38   31   28                                                 
CONECT   39    6                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
