COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.115  -0.152  -0.553  1.00  0.00           C  
HETATM    2  C   UNL     1       7.972   0.621  -0.461  1.00  0.00           C  
HETATM    3  C   UNL     1       2.384   0.447  -0.757  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.708   2.473   1.289  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.897   2.225   1.345  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.185   0.432  -0.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.552  -0.122  -0.224  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.112  -1.160  -0.425  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.505  -1.726  -0.534  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.097  -1.954   0.547  1.00  0.00           C  
HETATM   11  C   UNL     1       3.602   2.512  -1.389  1.00  0.00           C  
HETATM   12  C   UNL     1       3.521   1.362  -0.383  1.00  0.00           C  
HETATM   13  C   UNL     1       5.725   1.111   0.526  1.00  0.00           C  
HETATM   14  C   UNL     1       6.971   0.269   0.425  1.00  0.00           C  
HETATM   15  C   UNL     1       7.112  -0.855   1.217  1.00  0.00           C  
HETATM   16  C   UNL     1       8.254  -1.627   1.124  1.00  0.00           C  
HETATM   17  C   UNL     1       9.257  -1.275   0.240  1.00  0.00           C  
HETATM   18  C   UNL     1      10.500  -2.120   0.135  1.00  0.00           C  
HETATM   19  C   UNL     1       1.088   0.735  -0.336  1.00  0.00           C  
HETATM   20  CA  UNL     1      -0.807   1.582   0.553  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.544   0.587  -0.904  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.818   0.064  -1.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.132  -1.869   0.245  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.855  -1.357   0.349  1.00  0.00           C  
HETATM   25  C   UNL     1       0.039  -0.129  -0.701  1.00  0.00           C  
HETATM   26  C   UNL     1       0.305  -1.260  -1.477  1.00  0.00           C  
HETATM   27  C   UNL     1       1.584  -1.523  -1.878  1.00  0.00           C  
HETATM   28  C   UNL     1       2.623  -0.674  -1.521  1.00  0.00           C  
HETATM   29  N   UNL     1      11.509  -1.626   1.081  1.00  0.00           N  
HETATM   30  N   UNL     1       0.555   1.755   0.417  1.00  0.00           N  
HETATM   31  O   UNL     1       4.748   0.629  -0.399  1.00  0.00           O  
HETATM   32  OXT UNL     1      -1.218   3.569   1.905  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.951  -1.738   2.065  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.655   0.239   0.797  1.00  0.00           O  
HETATM   35  S   UNL     1      -7.495  -1.171   0.881  1.00  0.00           S  
HETATM   36 CL   UNL     1      -6.054   0.944  -1.846  1.00  0.00          Cl  
HETATM   37  H   UNL     1       9.896   0.121  -1.248  1.00  0.00           H  
HETATM   38  H   UNL     1       7.862   1.498  -1.080  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.966  -1.379  -1.459  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.456  -2.815  -0.539  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.972  -3.036   0.511  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.800  -1.696   1.340  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.482  -1.601  -0.409  1.00  0.00           H  
HETATM   44  H   UNL     1       3.773   2.111  -2.388  1.00  0.00           H  
HETATM   45  H   UNL     1       2.667   3.072  -1.377  1.00  0.00           H  
HETATM   46  H   UNL     1       4.424   3.174  -1.118  1.00  0.00           H  
HETATM   47  H   UNL     1       3.351   1.764   0.615  1.00  0.00           H  
HETATM   48  H   UNL     1       5.327   1.051   1.539  1.00  0.00           H  
HETATM   49  H   UNL     1       5.967   2.148   0.291  1.00  0.00           H  
HETATM   50  H   UNL     1       6.329  -1.129   1.909  1.00  0.00           H  
HETATM   51  H   UNL     1       8.365  -2.505   1.744  1.00  0.00           H  
HETATM   52  H   UNL     1      10.256  -3.156   0.371  1.00  0.00           H  
HETATM   53  H   UNL     1      10.894  -2.062  -0.880  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.316   1.543  -1.353  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.367  -2.824   0.692  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.090  -1.913   0.872  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.498  -1.925  -1.758  1.00  0.00           H  
HETATM   58  H   UNL     1       1.788  -2.398  -2.478  1.00  0.00           H  
HETATM   59  H   UNL     1       3.628  -0.893  -1.849  1.00  0.00           H  
HETATM   60  H   UNL     1      12.353  -2.177   1.030  1.00  0.00           H  
HETATM   61  H   UNL     1      11.705  -0.649   0.924  1.00  0.00           H  
HETATM   62  H   UNL     1       1.063   2.489   0.797  1.00  0.00           H  
HETATM   63  HXT UNL     1      -1.888   4.094   2.364  1.00  0.00           H  
CONECT    1    2   17   17   37                                       
CONECT    2   14   14    1   38                                       
CONECT    3   19   19   28   12                                       
CONECT    4    5    5   32   20                                       
CONECT    5    4    4                                                 
CONECT    6    7   20   20   25                                       
CONECT    7   24   24   21    6                                       
CONECT    8    9   23   23   22                                       
CONECT    9   35    8   39   40                                       
CONECT   10   35   41   42   43                                       
CONECT   11   12   44   45   46                                       
CONECT   12    3   31   11   47                                       
CONECT   13   14   31   48   49                                       
CONECT   14   13    2    2   15                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   17   51                                       
CONECT   17    1    1   16   18                                       
CONECT   18   17   29   52   53                                       
CONECT   19   25   30    3    3                                       
CONECT   20    4    6    6   30                                       
CONECT   21   22   22    7   54                                       
CONECT   22   36    8   21   21                                       
CONECT   23    8    8   24   55                                       
CONECT   24   23    7    7   56                                       
CONECT   25    6   26   26   19                                       
CONECT   26   25   25   27   57                                       
CONECT   27   26   28   28   58                                       
CONECT   28   27   27    3   59                                       
CONECT   29   18   60   61                                            
CONECT   30   20   19   62                                            
CONECT   31   13   12                                                 
CONECT   32    4   63                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35   10    9   33   33                                       
CONECT   35   34   34                                                 
CONECT   36   22                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
