COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.204  -0.058  -0.233  1.00  0.00           C  
HETATM    2  C   UNL     1       2.531   1.231  -0.629  1.00  0.00           C  
HETATM    3  C   UNL     1       3.856   1.616  -0.699  1.00  0.00           C  
HETATM    4  C   UNL     1       4.858   0.720  -0.375  1.00  0.00           C  
HETATM    5  C   UNL     1       4.540  -0.566   0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       3.213  -0.958   0.098  1.00  0.00           C  
HETATM    7  C   UNL     1       4.210   3.016  -1.130  1.00  0.00           C  
HETATM    8  C   UNL     1       3.985  -3.129   0.688  1.00  0.00           C  
HETATM    9  C   UNL     1       4.582  -2.910   2.079  1.00  0.00           C  
HETATM   10  C   UNL     1       3.477  -4.568   0.572  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.117   0.478   0.154  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.660   2.621   0.809  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.000   2.285   0.778  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.423   0.664   1.151  1.00  0.00           O  
HETATM   15  S   UNL     1      -6.814  -0.355   0.240  1.00  0.00           S  
HETATM   16  O   UNL     1      -7.740  -1.363   0.622  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.279   0.364  -1.359  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.503   1.264  -1.176  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.114   1.192  -1.904  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.324  -1.236  -0.091  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.241  -2.487  -0.467  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.888  -2.809  -0.632  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.356  -4.110  -1.046  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.157  -1.702  -0.340  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.025  -0.715  -0.002  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.683   0.600   0.367  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.352   0.982   0.413  1.00  0.00           C  
HETATM   28 CL   UNL     1      -3.219   3.453   1.182  1.00  0.00          Cl  
HETATM   29  N   UNL     1      -1.390   0.116   0.111  1.00  0.00           N  
HETATM   30  N   UNL     1       0.245   1.706   0.496  1.00  0.00           N  
HETATM   31  N   UNL     1       0.861  -0.451  -0.162  1.00  0.00           N  
HETATM   32  O   UNL     1       2.898  -2.223   0.488  1.00  0.00           O  
HETATM   33  C   UNL     1       6.302   1.144  -0.459  1.00  0.00           C  
HETATM   34  C   UNL     1       6.995   0.868   0.877  1.00  0.00           C  
HETATM   35  C   UNL     1       8.475   1.244   0.766  1.00  0.00           C  
HETATM   36  N   UNL     1       9.102   0.457  -0.303  1.00  0.00           N  
HETATM   37  C   UNL     1       9.052  -0.979   0.001  1.00  0.00           C  
HETATM   38  C   UNL     1       8.484   0.742  -1.604  1.00  0.00           C  
HETATM   39  C   UNL     1       7.005   0.351  -1.564  1.00  0.00           C  
HETATM   40  H   UNL     1       1.750   1.933  -0.883  1.00  0.00           H  
HETATM   41  H   UNL     1       5.325  -1.263   0.273  1.00  0.00           H  
HETATM   42  H   UNL     1       4.385   3.634  -0.249  1.00  0.00           H  
HETATM   43  H   UNL     1       5.113   2.991  -1.741  1.00  0.00           H  
HETATM   44  H   UNL     1       3.389   3.436  -1.711  1.00  0.00           H  
HETATM   45  H   UNL     1       4.750  -2.952  -0.068  1.00  0.00           H  
HETATM   46  H   UNL     1       5.410  -3.602   2.232  1.00  0.00           H  
HETATM   47  H   UNL     1       4.944  -1.885   2.162  1.00  0.00           H  
HETATM   48  H   UNL     1       3.817  -3.087   2.835  1.00  0.00           H  
HETATM   49  H   UNL     1       2.711  -4.745   1.328  1.00  0.00           H  
HETATM   50  H   UNL     1       3.051  -4.724  -0.419  1.00  0.00           H  
HETATM   51  H   UNL     1       4.305  -5.259   0.725  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.354   3.619   1.087  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.518  -0.435  -2.061  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.264   2.063  -0.474  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.783   1.696  -2.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.333   0.675  -0.787  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.876   1.990  -1.202  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.242   0.550  -2.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.394   1.624  -2.865  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.275  -4.140  -2.132  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.371  -4.257  -0.604  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.027  -4.901  -0.710  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.080  -1.622  -0.371  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.379   1.238   0.588  1.00  0.00           H  
HETATM   65  H   UNL     1       0.616  -1.374  -0.333  1.00  0.00           H  
HETATM   66  H   UNL     1       6.356   2.210  -0.684  1.00  0.00           H  
HETATM   67  H   UNL     1       6.526   1.463   1.661  1.00  0.00           H  
HETATM   68  H   UNL     1       6.906  -0.191   1.122  1.00  0.00           H  
HETATM   69  H   UNL     1       8.563   2.305   0.536  1.00  0.00           H  
HETATM   70  H   UNL     1       8.974   1.034   1.712  1.00  0.00           H  
HETATM   71  H   UNL     1       8.013  -1.293   0.102  1.00  0.00           H  
HETATM   72  H   UNL     1       9.523  -1.538  -0.807  1.00  0.00           H  
HETATM   73  H   UNL     1       9.582  -1.172   0.933  1.00  0.00           H  
HETATM   74  H   UNL     1       8.572   1.806  -1.823  1.00  0.00           H  
HETATM   75  H   UNL     1       8.990   0.168  -2.380  1.00  0.00           H  
HETATM   76  H   UNL     1       6.916  -0.716  -1.359  1.00  0.00           H  
HETATM   77  H   UNL     1       6.543   0.577  -2.525  1.00  0.00           H  
CONECT    1    6    6    2   31                                       
CONECT    2    3    3    1   40                                       
CONECT    3    4    7    2    2                                       
CONECT    4   33    5    5    3                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5   32    1    1                                       
CONECT    7    3   42   43   44                                       
CONECT    8    9   10   32   45                                       
CONECT    9    8   46   47   48                                       
CONECT   10    8   49   50   51                                       
CONECT   11   31   29   29   30                                       
CONECT   12   30   30   13   52                                       
CONECT   13   27   27   12   28                                       
CONECT   14   15   15                                                 
CONECT   15   20   14   14   16                                       
CONECT   15   16   17                                                 
CONECT   16   15   15                                                 
CONECT   17   15   19   18   53                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   57   58   59                                       
CONECT   20   21   21   25   15                                       
CONECT   21   22   20   20                                            
CONECT   22   23   21   24                                            
CONECT   23   22   60   61   62                                       
CONECT   24   22   25   25   63                                       
CONECT   25   24   24   20   26                                       
CONECT   26   25   27   64                                            
CONECT   27   29   26   13   13                                       
CONECT   28   13                                                      
CONECT   29   11   11   27                                            
CONECT   30   11   12   12                                            
CONECT   31    1   11   65                                            
CONECT   32    6    8                                                 
CONECT   33   39   34    4   66                                       
CONECT   34   35   33   67   68                                       
CONECT   35   36   34   69   70                                       
CONECT   36   38   37   35                                            
CONECT   37   36   71   72   73                                       
CONECT   38   39   36   74   75                                       
CONECT   39   38   33   76   77                                       
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
