COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.071  -0.353   0.409  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.388  -1.054  -2.418  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.705   2.497  -0.168  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.106   1.057   1.798  1.00  0.00           C  
HETATM    5  C   UNL     1       0.387   1.110   1.478  1.00  0.00           C  
HETATM    6  C   UNL     1       0.791  -0.169   0.791  1.00  0.00           C  
HETATM    7  C   UNL     1       2.465  -1.571  -0.149  1.00  0.00           C  
HETATM    8  C   UNL     1       3.143  -3.986  -1.301  1.00  0.00           C  
HETATM    9  C   UNL     1       6.251  -3.213   0.526  1.00  0.00           C  
HETATM   10  C   UNL     1       4.686  -1.435   0.906  1.00  0.00           C  
HETATM   11  C   UNL     1       0.701   2.276   0.578  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.417  -0.754   0.172  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.830  -0.604   0.759  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.857  -2.136   0.883  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.401  -0.923  -1.290  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.321  -2.079   0.947  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.435   0.314   0.658  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.800   0.005  -0.065  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.234  -1.183   0.471  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.822   0.238  -1.467  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.846   1.218   0.536  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.255   2.911  -0.184  1.00  0.00           C  
HETATM   23  C   UNL     1       0.107   3.973  -1.002  1.00  0.00           C  
HETATM   24  C   UNL     1       1.417   4.403  -1.053  1.00  0.00           C  
HETATM   25  C   UNL     1       2.018   2.714   0.529  1.00  0.00           C  
HETATM   26  C   UNL     1       2.376   3.772  -0.283  1.00  0.00           C  
HETATM   27 CL   UNL     1       4.027   4.309  -0.335  1.00  0.00          Cl  
HETATM   28  O   UNL     1      -0.034  -1.032   0.581  1.00  0.00           O  
HETATM   29  C   UNL     1       3.751  -2.097   0.099  1.00  0.00           C  
HETATM   30  C   UNL     1       5.912  -1.993   1.109  1.00  0.00           C  
HETATM   31  C   UNL     1       5.367  -3.884  -0.264  1.00  0.00           C  
HETATM   32  C   UNL     1       4.094  -3.339  -0.496  1.00  0.00           C  
HETATM   33  N   UNL     1       1.961  -3.448  -1.488  1.00  0.00           N  
HETATM   34  C   UNL     1       1.604  -2.291  -0.951  1.00  0.00           C  
HETATM   35  H   UNL     1       2.717   0.362   0.519  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.062   2.389  -1.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.294   3.259   0.343  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.353   0.096   2.250  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.365   1.865   2.483  1.00  0.00           H  
HETATM   40  H   UNL     1       0.949   1.211   2.406  1.00  0.00           H  
HETATM   41  H   UNL     1       3.384  -4.932  -1.763  1.00  0.00           H  
HETATM   42  H   UNL     1       7.230  -3.633   0.703  1.00  0.00           H  
HETATM   43  H   UNL     1       4.436  -0.489   1.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.851  -0.088   1.719  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.558  -0.209   0.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.319  -2.492   1.804  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.240  -2.639  -0.005  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.831  -2.877   0.388  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.930  -1.967   1.958  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.787   1.298   0.351  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.364   0.276   1.745  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.643   4.465  -1.603  1.00  0.00           H  
HETATM   53  H   UNL     1       1.691   5.229  -1.693  1.00  0.00           H  
HETATM   54  H   UNL     1       2.769   2.222   1.129  1.00  0.00           H  
HETATM   55  H   UNL     1       6.632  -1.483   1.732  1.00  0.00           H  
HETATM   56  H   UNL     1       5.644  -4.828  -0.709  1.00  0.00           H  
HETATM   57  H   UNL     1       0.615  -1.903  -1.145  1.00  0.00           H  
CONECT    1    7    6   35                                            
CONECT    2   15   15   15                                            
CONECT    3   21   22   36   37                                       
CONECT    4    5   21   38   39                                       
CONECT    5    6    4   11   40                                       
CONECT    6    1    5   28   28                                       
CONECT    7   29   29   34    1                                       
CONECT    8   32   32   33   41                                       
CONECT    9   31   31   30   42                                       
CONECT   10   30   30   29   43                                       
CONECT   11    5   25   25   22                                       
CONECT   12   16   17   13   15                                       
CONECT   13   14   12   44   45                                       
CONECT   14   16   13   46   47                                       
CONECT   15   12    2    2    2                                       
CONECT   16   14   12   48   49                                       
CONECT   17   18   12   50   51                                       
CONECT   18   19   19   17   21                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    4   18    3                                            
CONECT   22   11    3   23   23                                       
CONECT   23   22   22   24   52                                       
CONECT   24   26   26   23   53                                       
CONECT   25   11   11   26   54                                       
CONECT   26   25   27   24   24                                       
CONECT   27   26                                                      
CONECT   28    6    6                                                 
CONECT   29   32   10    7    7                                       
CONECT   30    9   10   10   55                                       
CONECT   31    9    9   32   56                                       
CONECT   32   31    8    8   29                                       
CONECT   33    8   34   34                                            
CONECT   34   33   33    7   57                                       
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
