COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.284   3.800   1.545  1.00  0.00           C  
HETATM    2  C   UNL     1       0.518   2.590   2.028  1.00  0.00           C  
HETATM    3  C   UNL     1       0.040   1.352   1.314  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.850   1.430   0.501  1.00  0.00           O  
HETATM    5  C   UNL     1       0.673   0.018   1.612  1.00  0.00           C  
HETATM    6  N   UNL     1       0.038  -1.018   0.794  1.00  0.00           N  
HETATM    7  C   UNL     1       0.504  -1.261  -0.573  1.00  0.00           C  
HETATM    8  C   UNL     1       0.435   0.010  -1.393  1.00  0.00           C  
HETATM    9  C   UNL     1       1.668   0.284  -1.767  1.00  0.00           C  
HETATM   10  N   UNL     1       2.580  -0.646  -1.304  1.00  0.00           N  
HETATM   11  C   UNL     1       4.019  -0.590  -1.568  1.00  0.00           C  
HETATM   12  C   UNL     1       4.264  -0.643  -3.077  1.00  0.00           C  
HETATM   13  C   UNL     1       4.583   0.692  -1.013  1.00  0.00           C  
HETATM   14  O   UNL     1       3.852   1.641  -0.817  1.00  0.00           O  
HETATM   15  N   UNL     1       5.898   0.786  -0.733  1.00  0.00           N  
HETATM   16  C   UNL     1       6.452   1.987  -0.088  1.00  0.00           C  
HETATM   17  C   UNL     1       7.295   1.545   1.114  1.00  0.00           C  
HETATM   18  O   UNL     1       8.239   0.559   0.689  1.00  0.00           O  
HETATM   19  C   UNL     1       7.647  -0.641   0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       6.821  -0.313  -1.058  1.00  0.00           C  
HETATM   21  C   UNL     1       1.979  -1.615  -0.578  1.00  0.00           C  
HETATM   22  O   UNL     1       2.509  -2.564  -0.041  1.00  0.00           O  
HETATM   23  S   UNL     1      -1.208  -1.915   1.416  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.237  -3.129   0.677  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.070  -1.869   2.829  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.704  -1.065   1.033  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.202  -0.118   1.927  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.354   0.556   1.662  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.054   0.297   0.471  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.246   0.974   0.163  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.897   0.697  -1.002  1.00  0.00           C  
HETATM   32 CL   UNL     1      -8.369   1.535  -1.379  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -6.397  -0.250  -1.895  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.246  -0.925  -1.629  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.547  -0.666  -0.438  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.351  -1.339  -0.132  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.143   3.923   0.471  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.341   3.643   1.757  1.00  0.00           H  
HETATM   39  H   UNL     1       0.062   4.695   2.062  1.00  0.00           H  
HETATM   40  H   UNL     1       1.576   2.746   1.816  1.00  0.00           H  
HETATM   41  H   UNL     1       0.378   2.466   3.102  1.00  0.00           H  
HETATM   42  H   UNL     1       1.738   0.060   1.382  1.00  0.00           H  
HETATM   43  H   UNL     1       0.540  -0.220   2.668  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.081  -2.052  -1.042  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.451   0.581  -1.626  1.00  0.00           H  
HETATM   46  H   UNL     1       1.936   1.140  -2.369  1.00  0.00           H  
HETATM   47  H   UNL     1       4.510  -1.439  -1.091  1.00  0.00           H  
HETATM   48  H   UNL     1       3.854   0.253  -3.543  1.00  0.00           H  
HETATM   49  H   UNL     1       5.335  -0.696  -3.271  1.00  0.00           H  
HETATM   50  H   UNL     1       3.775  -1.524  -3.494  1.00  0.00           H  
HETATM   51  H   UNL     1       7.078   2.528  -0.797  1.00  0.00           H  
HETATM   52  H   UNL     1       5.639   2.630   0.249  1.00  0.00           H  
HETATM   53  H   UNL     1       7.825   2.405   1.522  1.00  0.00           H  
HETATM   54  H   UNL     1       6.644   1.121   1.879  1.00  0.00           H  
HETATM   55  H   UNL     1       8.431  -1.353  -0.073  1.00  0.00           H  
HETATM   56  H   UNL     1       6.998  -1.073   0.947  1.00  0.00           H  
HETATM   57  H   UNL     1       6.254  -1.192  -1.365  1.00  0.00           H  
HETATM   58  H   UNL     1       7.483  -0.002  -1.867  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.667   0.083   2.843  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.729   1.287   2.364  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.644   1.710   0.845  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.932  -0.452  -2.811  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.871  -1.657  -2.329  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.951  -2.072  -0.816  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   42   43                                       
CONECT    6    5    7   23                                            
CONECT    7   21    8    6   44                                       
CONECT    8    9    9    7   45                                       
CONECT    9   10    8    8   46                                       
CONECT   10   11    9   21                                            
CONECT   11   13   10   12   47                                       
CONECT   12   11   48   49   50                                       
CONECT   13   15   14   14   11                                       
CONECT   14   13   13                                                 
CONECT   15   20   13   16                                            
CONECT   16   17   15   51   52                                       
CONECT   17   18   16   53   54                                       
CONECT   18   19   17                                                 
CONECT   19   18   20   55   56                                       
CONECT   20   19   15   57   58                                       
CONECT   21   10   22   22    7                                       
CONECT   22   21   21                                                 
CONECT   23    6   25   25   26                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23   36   36                                       
CONECT   27   28   28   26   59                                       
CONECT   28   27   27   29   60                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   61                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31   34   62                                       
CONECT   34   35   35   33   63                                       
CONECT   35   29   36   34   34                                       
CONECT   36   26   26   35   64                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
