COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.371  -2.637  -0.147  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.153  -3.914  -0.319  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.462  -1.107  -0.114  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.769   0.210  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.084   0.732  -0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.272  -0.233   0.097  1.00  0.00           C  
HETATM    7  C   UNL     1       2.712  -0.238   0.314  1.00  0.00           C  
HETATM    8  C   UNL     1       7.437   3.670  -1.005  1.00  0.00           C  
HETATM    9  N   UNL     1       6.699   2.710  -0.174  1.00  0.00           N  
HETATM   10  C   UNL     1       7.151   1.336  -0.429  1.00  0.00           C  
HETATM   11  C   UNL     1       6.492   0.389   0.580  1.00  0.00           C  
HETATM   12  N   UNL     1       5.035   0.586   0.522  1.00  0.00           N  
HETATM   13  C   UNL     1       4.513   1.956   0.633  1.00  0.00           C  
HETATM   14  C   UNL     1       5.250   2.841  -0.378  1.00  0.00           C  
HETATM   15  C   UNL     1       4.201  -0.462   0.371  1.00  0.00           C  
HETATM   16  O   UNL     1       4.649  -1.586   0.281  1.00  0.00           O  
HETATM   17  O   UNL     1       2.047  -1.493   0.151  1.00  0.00           O  
HETATM   18  C   UNL     1       0.693  -1.468   0.082  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.009  -2.663  -0.077  1.00  0.00           C  
HETATM   20 CL   UNL     1       0.844  -4.171  -0.184  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -2.039  -1.391  -0.062  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.424  -2.096  -0.267  1.00  0.00           N  
HETATM   23  S   UNL     1      -2.319   1.179   0.178  1.00  0.00           S  
HETATM   24  N   UNL     1       0.061  -0.316   0.164  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.035  -0.019  -0.150  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.285   2.059   0.098  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.647   2.599   0.075  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.887   3.940   0.771  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.894   3.858  -0.758  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.490  -4.267   0.655  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.017  -3.728  -0.957  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.517  -4.670  -0.780  1.00  0.00           H  
HETATM   33  H   UNL     1       2.380   0.231   1.240  1.00  0.00           H  
HETATM   34  H   UNL     1       2.474   0.411  -0.528  1.00  0.00           H  
HETATM   35  H   UNL     1       7.274   3.439  -2.058  1.00  0.00           H  
HETATM   36  H   UNL     1       7.082   4.680  -0.796  1.00  0.00           H  
HETATM   37  H   UNL     1       8.501   3.605  -0.779  1.00  0.00           H  
HETATM   38  H   UNL     1       6.870   1.043  -1.440  1.00  0.00           H  
HETATM   39  H   UNL     1       8.234   1.284  -0.322  1.00  0.00           H  
HETATM   40  H   UNL     1       6.732  -0.643   0.325  1.00  0.00           H  
HETATM   41  H   UNL     1       6.852   0.615   1.583  1.00  0.00           H  
HETATM   42  H   UNL     1       3.445   1.960   0.413  1.00  0.00           H  
HETATM   43  H   UNL     1       4.680   2.331   1.643  1.00  0.00           H  
HETATM   44  H   UNL     1       4.955   3.881  -0.234  1.00  0.00           H  
HETATM   45  H   UNL     1       4.996   2.527  -1.390  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.299  -1.870  -0.620  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.221  -3.012  -0.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.528   2.657   0.200  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.447   1.859   0.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.844   4.084   1.271  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.031   4.422   1.245  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.043   4.285  -1.289  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.856   3.947  -1.262  1.00  0.00           H  
CONECT    1   19   19   21    2                                       
CONECT    2    1   30   31   32                                       
CONECT    3   21    4    4   22                                       
CONECT    4   23    5    3    3                                       
CONECT    5   26    4   25   25                                       
CONECT    6   24   23   21   21                                       
CONECT    7   15   17   33   34                                       
CONECT    8    9   35   36   37                                       
CONECT    9    8   10   14                                            
CONECT   10    9   11   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   15                                            
CONECT   13   14   12   42   43                                       
CONECT   14    9   13   44   45                                       
CONECT   15   12   16   16    7                                       
CONECT   16   15   15                                                 
CONECT   17    7   18                                                 
CONECT   18   17   24   24   19                                       
CONECT   19   18   20    1    1                                       
CONECT   20   19                                                      
CONECT   21    6    6    1    3                                       
CONECT   22    3   46   47                                            
CONECT   23    6    4                                                 
CONECT   24   18   18    6                                            
CONECT   25    5    5                                                 
CONECT   26   27    5   48                                            
CONECT   27   28   29   26   49                                       
CONECT   28   29   27   50   51                                       
CONECT   29   28   27   52   53                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
