COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.148  -0.240   0.549  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.940   2.109  -2.264  1.00  0.00           N  
HETATM    3  C   UNL     1       0.011  -1.152   1.246  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.823  -0.339   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.649   1.120  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.194   1.429  -1.405  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.148   2.533  -1.978  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.997   2.709  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.483   1.277   1.496  1.00  0.00           C  
HETATM   10  C   UNL     1       0.456  -2.418   0.563  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.119  -4.646  -0.140  1.00  0.00           C  
HETATM   12  C   UNL     1       1.713  -2.575   0.025  1.00  0.00           C  
HETATM   13  C   UNL     1       2.760  -1.492   0.092  1.00  0.00           C  
HETATM   14 CL   UNL     1      -1.271  -5.942  -0.234  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.459  -3.461   0.481  1.00  0.00           C  
HETATM   16  C   UNL     1       1.142  -4.797  -0.689  1.00  0.00           C  
HETATM   17  C   UNL     1       2.052  -3.764  -0.604  1.00  0.00           C  
HETATM   18  S   UNL     1       2.488   1.204  -0.188  1.00  0.00           S  
HETATM   19  O   UNL     1       2.936   0.890  -1.499  1.00  0.00           O  
HETATM   20  O   UNL     1       1.382   2.058   0.072  1.00  0.00           O  
HETATM   21  N   UNL     1       3.785   1.865   0.604  1.00  0.00           N  
HETATM   22  C   UNL     1       5.138   1.676   0.076  1.00  0.00           C  
HETATM   23  C   UNL     1       5.509   2.863  -0.815  1.00  0.00           C  
HETATM   24  O   UNL     1       5.574   4.051  -0.023  1.00  0.00           O  
HETATM   25  C   UNL     1       3.578   2.638   1.831  1.00  0.00           C  
HETATM   26  C   UNL     1       1.214  -0.319   1.684  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.571  -0.353  -0.897  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.849   0.402   0.751  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.943   1.547   0.232  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.737   1.715   1.797  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.491   2.428   0.867  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.708   2.273  -0.717  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.591  -1.407   2.118  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.207   1.108  -1.704  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.714   3.084  -2.714  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.593   3.262  -1.081  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.909   0.725   2.226  1.00  0.00           H  
HETATM   38  H   UNL     1       3.193  -1.344  -0.898  1.00  0.00           H  
HETATM   39  H   UNL     1       3.544  -1.788   0.789  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.444  -3.343   0.908  1.00  0.00           H  
HETATM   41  H   UNL     1       1.413  -5.720  -1.180  1.00  0.00           H  
HETATM   42  H   UNL     1       3.037  -3.881  -1.032  1.00  0.00           H  
HETATM   43  H   UNL     1       5.845   1.609   0.904  1.00  0.00           H  
HETATM   44  H   UNL     1       5.175   0.757  -0.509  1.00  0.00           H  
HETATM   45  H   UNL     1       6.479   2.681  -1.277  1.00  0.00           H  
HETATM   46  H   UNL     1       4.753   2.985  -1.591  1.00  0.00           H  
HETATM   47  H   UNL     1       5.804   4.845  -0.524  1.00  0.00           H  
HETATM   48  H   UNL     1       3.624   1.971   2.692  1.00  0.00           H  
HETATM   49  H   UNL     1       4.355   3.397   1.917  1.00  0.00           H  
HETATM   50  H   UNL     1       2.601   3.120   1.796  1.00  0.00           H  
HETATM   51  H   UNL     1       1.705  -0.797   2.532  1.00  0.00           H  
HETATM   52  H   UNL     1       0.887   0.683   1.963  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.032   0.437   1.703  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.154   1.506   2.771  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.483   2.764   1.132  1.00  0.00           H  
CONECT    1   26   18   13                                            
CONECT    2    7    6    6                                            
CONECT    3    4   26   10   33                                       
CONECT    4   28    3   27   27                                       
CONECT    5   29   29    6   28                                       
CONECT    6    2    2    5   34                                       
CONECT    7   32   32    2   35                                       
CONECT    8   31   31   32   36                                       
CONECT    9   30   30   29   37                                       
CONECT   10    3   15   15   12                                       
CONECT   11   15   14   16   16                                       
CONECT   12   10   13   17   17                                       
CONECT   13    1   12   38   39                                       
CONECT   14   11                                                      
CONECT   15   10   10   11   40                                       
CONECT   16   11   11   17   41                                       
CONECT   17   12   12   16   42                                       
CONECT   18   20   20    1   19                                       
CONECT   18   19   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   25   22                                            
CONECT   22   21   23   43   44                                       
CONECT   23   22   24   45   46                                       
CONECT   24   23   47                                                 
CONECT   25   21   48   49   50                                       
CONECT   26    3    1   51   52                                       
CONECT   27    4    4                                                 
CONECT   28    5    4   53                                            
CONECT   29   32    9    5    5                                       
CONECT   30   31    9    9   54                                       
CONECT   31    8    8   30   55                                       
CONECT   32    8    7    7   29                                       
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
