COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.334   4.324   0.109  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.702   4.871  -2.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.713   3.385  -2.461  1.00  0.00           C  
HETATM    4  C   UNL     1       2.628  -0.047   0.750  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.836   5.027  -0.582  1.00  0.00           C  
HETATM    6  C   UNL     1       0.458   2.683  -1.770  1.00  0.00           C  
HETATM    7  C   UNL     1       5.041  -0.366   0.873  1.00  0.00           C  
HETATM    8  C   UNL     1       6.062  -0.610  -0.239  1.00  0.00           C  
HETATM    9  C   UNL     1       6.489  -1.878  -2.351  1.00  0.00           C  
HETATM   10  C   UNL     1       5.683  -3.962  -1.720  1.00  0.00           C  
HETATM   11  C   UNL     1       5.313  -3.001  -0.568  1.00  0.00           C  
HETATM   12  C   UNL     1       5.661   0.528   1.949  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.143  -2.353   1.106  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.612  -0.119   2.120  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.459  -0.887   0.806  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.319  -0.276  -0.012  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.975   0.136   0.161  1.00  0.00           C  
HETATM   18  C   UNL     1       1.411   0.630   0.175  1.00  0.00           C  
HETATM   19  C   UNL     1       1.494   2.136   0.436  1.00  0.00           C  
HETATM   20  C   UNL     1       0.323   2.838  -0.254  1.00  0.00           C  
HETATM   21  C   UNL     1       5.496  -1.620  -1.239  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.743  -0.800   0.021  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.917  -1.291   0.561  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.095  -1.210  -0.160  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.098  -0.638  -1.419  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.923  -0.148  -1.958  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.747  -0.224  -1.236  1.00  0.00           C  
HETATM   28  N   UNL     1       0.206   0.090   0.809  1.00  0.00           N  
HETATM   29  N   UNL     1       3.858   0.292   0.314  1.00  0.00           N  
HETATM   30  N   UNL     1       6.575  -3.196  -2.598  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.082  -0.360   0.744  1.00  0.00           O  
HETATM   32  O   UNL     1       7.113  -1.019  -2.938  1.00  0.00           O  
HETATM   33  O   UNL     1       6.816  -0.114   2.494  1.00  0.00           O  
HETATM   34  O   UNL     1       2.502  -0.897   1.605  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.040   0.626  -0.949  1.00  0.00           O  
HETATM   36 CL   UNL     1      -9.570  -1.827   0.517  1.00  0.00          Cl  
HETATM   37  S   UNL     1       4.450   0.817   3.268  1.00  0.00           S  
HETATM   38  H   UNL     1       1.272   4.772  -0.221  1.00  0.00           H  
HETATM   39  H   UNL     1       0.238   4.435   1.189  1.00  0.00           H  
HETATM   40  H   UNL     1       0.236   5.319  -2.427  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.536   5.372  -2.590  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.651   2.938  -2.132  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.617   3.274  -3.541  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.774   4.579  -0.252  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.829   6.086  -0.323  1.00  0.00           H  
HETATM   46  H   UNL     1       0.450   1.624  -2.029  1.00  0.00           H  
HETATM   47  H   UNL     1       1.395   3.130  -2.100  1.00  0.00           H  
HETATM   48  H   UNL     1       4.751  -1.319   1.316  1.00  0.00           H  
HETATM   49  H   UNL     1       6.273   0.329  -0.752  1.00  0.00           H  
HETATM   50  H   UNL     1       6.983  -1.003   0.192  1.00  0.00           H  
HETATM   51  H   UNL     1       6.199  -4.840  -1.332  1.00  0.00           H  
HETATM   52  H   UNL     1       4.786  -4.262  -2.263  1.00  0.00           H  
HETATM   53  H   UNL     1       4.279  -3.148  -0.254  1.00  0.00           H  
HETATM   54  H   UNL     1       5.995  -3.120   0.274  1.00  0.00           H  
HETATM   55  H   UNL     1       5.951   1.481   1.506  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.955  -2.788   1.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.035  -2.901   0.170  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.215  -2.416   1.673  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.683  -0.182   2.688  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.837   0.926   1.906  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.424  -0.553   2.703  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.210  -0.824  -0.948  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.544   0.768  -0.226  1.00  0.00           H  
HETATM   64  H   UNL     1       1.369   0.450  -0.899  1.00  0.00           H  
HETATM   65  H   UNL     1       1.447   2.321   1.509  1.00  0.00           H  
HETATM   66  H   UNL     1       2.433   2.522   0.041  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.615   2.391   0.075  1.00  0.00           H  
HETATM   68  H   UNL     1       4.550  -1.265  -1.647  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.914  -1.737   1.544  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.017  -0.576  -1.982  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.926   0.302  -2.940  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.829   0.160  -1.656  1.00  0.00           H  
HETATM   73  H   UNL     1       0.258  -0.301   1.695  1.00  0.00           H  
HETATM   74  H   UNL     1       3.959   0.973  -0.370  1.00  0.00           H  
HETATM   75  H   UNL     1       7.154  -3.591  -3.269  1.00  0.00           H  
HETATM   76  H   UNL     1       7.507  -0.300   1.844  1.00  0.00           H  
HETATM   77  H   UNL     1       3.435   1.416   2.620  1.00  0.00           H  
CONECT    1    5   20   38   39                                       
CONECT    2    5    3   40   41                                       
CONECT    3    2    6   42   43                                       
CONECT    4   18   34   34   29                                       
CONECT    5    2    1   44   45                                       
CONECT    6    3   20   46   47                                       
CONECT    7   29   12    8   48                                       
CONECT    8    7   21   49   50                                       
CONECT    9   21   30   32   32                                       
CONECT   10   11   30   51   52                                       
CONECT   11   10   21   53   54                                       
CONECT   12   33    7   37   55                                       
CONECT   13   15   56   57   58                                       
CONECT   14   15   59   60   61                                       
CONECT   15   14   22   13   16                                       
CONECT   16   15   31   62   63                                       
CONECT   17   31   28   35   35                                       
CONECT   18   28   19    4   64                                       
CONECT   19   20   18   65   66                                       
CONECT   20    1    6   19   67                                       
CONECT   21   11    8    9   68                                       
CONECT   22   27   15   23   23                                       
CONECT   23   22   22   24   69                                       
CONECT   24   25   25   23   36                                       
CONECT   25   26   24   24   70                                       
CONECT   26   27   27   25   71                                       
CONECT   27   26   26   22   72                                       
CONECT   28   17   18   73                                            
CONECT   29    4    7   74                                            
CONECT   30   10    9   75                                            
CONECT   31   16   17                                                 
CONECT   32    9    9                                                 
CONECT   33   12   76                                                 
CONECT   34    4    4                                                 
CONECT   35   17   17                                                 
CONECT   36   24                                                      
CONECT   37   12   77                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   33                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
