COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.648  -1.920  -1.068  1.00  0.00           N  
HETATM    2  C   UNL     1       2.508  -2.211   0.863  1.00  0.00           C  
HETATM    3  C   UNL     1       3.876  -2.218   0.709  1.00  0.00           C  
HETATM    4  N   UNL     1       5.821  -2.081  -0.709  1.00  0.00           N  
HETATM    5  C   UNL     1       4.436  -2.074  -0.557  1.00  0.00           C  
HETATM    6  O   UNL     1       8.103  -1.307  -0.174  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.146  -2.134   1.077  1.00  0.00           C  
HETATM    8  C   UNL     1       0.214  -2.056  -0.092  1.00  0.00           C  
HETATM    9  C   UNL     1       1.682  -2.058  -0.253  1.00  0.00           C  
HETATM   10  N   UNL     1       6.138   5.458   0.331  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.904  -1.965  -0.552  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.714  -1.251   1.244  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.764  -2.141   0.834  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.434  -2.193   1.080  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.890  -2.224   1.638  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.573  -1.870  -0.855  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.293  -1.960  -0.298  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.886  -1.013  -0.951  1.00  0.00           O  
HETATM   19  C   UNL     1       6.320   0.508   0.078  1.00  0.00           C  
HETATM   20  C   UNL     1       5.397   1.097   0.922  1.00  0.00           C  
HETATM   21  C   UNL     1       5.047   2.422   0.747  1.00  0.00           C  
HETATM   22  C   UNL     1       5.622   3.161  -0.271  1.00  0.00           C  
HETATM   23  C   UNL     1       5.240   4.606  -0.461  1.00  0.00           C  
HETATM   24  C   UNL     1       6.546   2.573  -1.114  1.00  0.00           C  
HETATM   25  C   UNL     1       6.894   1.246  -0.941  1.00  0.00           C  
HETATM   26  C   UNL     1       3.616  -1.921  -1.670  1.00  0.00           C  
HETATM   27  C   UNL     1       2.247  -1.908  -1.522  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.180  -1.875  -1.113  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.169   0.749  -0.254  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.437   1.580  -1.262  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.892   2.846  -1.135  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.180   3.043  -0.022  1.00  0.00           C  
HETATM   33  O   UNL     1       6.384  -1.524   1.628  1.00  0.00           O  
HETATM   34  S   UNL     1      -6.724  -0.919  -0.138  1.00  0.00           S  
HETATM   35  S   UNL     1       6.771  -1.180   0.305  1.00  0.00           S  
HETATM   36  S   UNL     1      -5.169   1.569   0.938  1.00  0.00           S  
HETATM   37 CL   UNL     1      -4.382   4.523   0.407  1.00  0.00          Cl  
HETATM   38  H   UNL     1       2.074  -2.328   1.845  1.00  0.00           H  
HETATM   39  H   UNL     1       4.516  -2.336   1.571  1.00  0.00           H  
HETATM   40  H   UNL     1       6.229  -2.615  -1.410  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.021  -2.199   1.706  1.00  0.00           H  
HETATM   42  H   UNL     1       5.903   6.432   0.220  1.00  0.00           H  
HETATM   43  H   UNL     1       6.125   5.191   1.304  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.783  -2.359   2.705  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.787  -2.365  -1.662  1.00  0.00           H  
HETATM   46  H   UNL     1       4.948   0.520   1.717  1.00  0.00           H  
HETATM   47  H   UNL     1       4.325   2.882   1.406  1.00  0.00           H  
HETATM   48  H   UNL     1       4.212   4.757  -0.132  1.00  0.00           H  
HETATM   49  H   UNL     1       5.326   4.869  -1.515  1.00  0.00           H  
HETATM   50  H   UNL     1       6.995   3.149  -1.909  1.00  0.00           H  
HETATM   51  H   UNL     1       7.615   0.787  -1.600  1.00  0.00           H  
HETATM   52  H   UNL     1       4.053  -1.809  -2.651  1.00  0.00           H  
HETATM   53  H   UNL     1       1.611  -1.789  -2.386  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.296  -1.739  -2.178  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.034   1.287  -2.112  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.031   3.616  -1.879  1.00  0.00           H  
CONECT    1    8    8   11                                            
CONECT    2    3    3    9   38                                       
CONECT    3    5    2    2   39                                       
CONECT    4   35    5   40                                            
CONECT    5    4   26   26    3                                       
CONECT    6   35   35                                                 
CONECT    7   15   15   17   41                                       
CONECT    8    9    1    1   14                                       
CONECT    9   27   27    2    8                                       
CONECT   10   23   42   43                                            
CONECT   11    1   13   13   28                                       
CONECT   12   34   34                                                 
CONECT   13   14   11   11   15                                       
CONECT   14    8   13                                                 
CONECT   15   13    7    7   44                                       
CONECT   16   17   34   45                                            
CONECT   17   28   28    7   16                                       
CONECT   18   34   34                                                 
CONECT   19   35   20   20   25                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   24   23                                       
CONECT   23   22   10   48   49                                       
CONECT   24   25   25   22   50                                       
CONECT   25   19   24   24   51                                       
CONECT   26    5    5   27   52                                       
CONECT   27   26    9    9   53                                       
CONECT   28   11   17   17   54                                       
CONECT   29   36   30   30   34                                       
CONECT   30   31   29   29   55                                       
CONECT   31   32   32   30   56                                       
CONECT   32   37   31   31   36                                       
CONECT   33   35   35                                                 
CONECT   34   29   12   12   16                                       
CONECT   34   18   18                                                 
CONECT   35   33   33    6    6                                       
CONECT   35    4   19                                                 
CONECT   36   32   29                                                 
CONECT   37   32                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
