COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.405  -2.290  -0.393  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.164  -0.996   0.142  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.585   0.029  -0.653  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.637  -0.379   1.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.727  -0.105  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.625  -1.102  -0.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.625  -0.851  -1.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.728   0.397  -1.842  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.831   1.394  -1.507  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.834   1.144  -0.583  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.059  -1.252   1.348  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.978  -2.553   2.026  1.00  0.00           C  
HETATM   13  C   UNL     1       0.467  -3.058   1.955  1.00  0.00           C  
HETATM   14  C   UNL     1       1.404  -1.992   2.527  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.135  -0.185   1.756  1.00  0.00           C  
HETATM   16  C   UNL     1       1.297  -0.714   1.692  1.00  0.00           C  
HETATM   17  C   UNL     1       1.653  -1.018   0.259  1.00  0.00           C  
HETATM   18  O   UNL     1       0.882  -0.729  -0.632  1.00  0.00           O  
HETATM   19  C   UNL     1       2.887  -1.641  -0.046  1.00  0.00           C  
HETATM   20  C   UNL     1       3.253  -1.823  -1.338  1.00  0.00           C  
HETATM   21  O   UNL     1       2.440  -1.410  -2.336  1.00  0.00           O  
HETATM   22  C   UNL     1       4.545  -2.476  -1.658  1.00  0.00           C  
HETATM   23  O   UNL     1       4.909  -2.657  -2.942  1.00  0.00           O  
HETATM   24  O   UNL     1       5.276  -2.847  -0.762  1.00  0.00           O  
HETATM   25  C   UNL     1       2.258   0.340   2.245  1.00  0.00           C  
HETATM   26  C   UNL     1       2.103   1.620   1.464  1.00  0.00           C  
HETATM   27  C   UNL     1       1.238   2.601   1.911  1.00  0.00           C  
HETATM   28  C   UNL     1       1.096   3.775   1.195  1.00  0.00           C  
HETATM   29  C   UNL     1       2.831   1.814   0.305  1.00  0.00           C  
HETATM   30  C   UNL     1       2.690   2.988  -0.411  1.00  0.00           C  
HETATM   31  C   UNL     1       1.821   3.968   0.032  1.00  0.00           C  
HETATM   32 CL   UNL     1       1.643   5.443  -0.866  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -3.980  -1.126   1.717  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.390   0.543   1.530  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.544  -2.077   0.122  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.135   1.924  -0.319  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.325  -1.630  -1.519  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.509   0.592  -2.562  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.912   2.369  -1.965  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.275  -2.441   3.068  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.638  -3.265   1.530  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.239   0.666   1.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.362   0.124   2.776  1.00  0.00           H  
HETATM   44  H   UNL     1       0.561  -3.975   2.536  1.00  0.00           H  
HETATM   45  H   UNL     1       0.733  -3.256   0.916  1.00  0.00           H  
HETATM   46  H   UNL     1       1.122  -1.776   3.558  1.00  0.00           H  
HETATM   47  H   UNL     1       2.430  -2.358   2.501  1.00  0.00           H  
HETATM   48  H   UNL     1       2.029   0.525   3.295  1.00  0.00           H  
HETATM   49  H   UNL     1       3.283  -0.020   2.154  1.00  0.00           H  
HETATM   50  H   UNL     1       3.537  -1.971   0.751  1.00  0.00           H  
HETATM   51  H   UNL     1       2.785  -1.583  -3.222  1.00  0.00           H  
HETATM   52  H   UNL     1       5.761  -3.086  -3.101  1.00  0.00           H  
HETATM   53  H   UNL     1       0.672   2.450   2.818  1.00  0.00           H  
HETATM   54  H   UNL     1       3.510   1.049  -0.040  1.00  0.00           H  
HETATM   55  H   UNL     1       0.420   4.542   1.544  1.00  0.00           H  
HETATM   56  H   UNL     1       3.259   3.140  -1.316  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   11                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   33   34                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   35                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9    9   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10    5    5    9   36                                       
CONECT   11    2   12   15                                            
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   16   46   47                                       
CONECT   15   11   16   42   43                                       
CONECT   16   14   15   17   25                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   20   50                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   51                                                 
CONECT   22   20   23   24   24                                       
CONECT   23   22   52                                                 
CONECT   24   22   22                                                 
CONECT   25   16   26   48   49                                       
CONECT   26   25   27   29   29                                       
CONECT   27   26   28   28   53                                       
CONECT   28   27   27   31   55                                       
CONECT   29   26   26   30   54                                       
CONECT   30   29   31   31   56                                       
CONECT   31   28   30   30   32                                       
CONECT   32   31                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
