COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.311   0.181   2.730  1.00  0.00           O  
HETATM    2  C   UNL     1       5.449   0.221   1.523  1.00  0.00           C  
HETATM    3  C   UNL     1       4.539  -0.390   0.518  1.00  0.00           C  
HETATM    4  C   UNL     1       3.378  -1.120   0.581  1.00  0.00           C  
HETATM    5  N   UNL     1       6.448   0.831   0.859  1.00  0.00           N  
HETATM    6  C   UNL     1       6.323   0.700  -0.436  1.00  0.00           C  
HETATM    7  C   UNL     1       5.114  -0.077  -0.736  1.00  0.00           C  
HETATM    8  C   UNL     1       4.500  -0.508  -1.906  1.00  0.00           C  
HETATM    9  C   UNL     1       3.328  -1.243  -1.838  1.00  0.00           C  
HETATM   10  C   UNL     1       2.764  -1.552  -0.608  1.00  0.00           C  
HETATM   11  S   UNL     1       1.273  -2.488  -0.536  1.00  0.00           S  
HETATM   12  C   UNL     1       0.096  -1.181  -0.433  1.00  0.00           C  
HETATM   13  N   UNL     1       0.520   0.067  -0.537  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.337   1.084  -0.465  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.185  -1.487  -0.259  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.110  -0.537  -0.175  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.442  -0.860   0.006  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.655  -1.514   1.316  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.778  -2.550   1.126  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.289  -3.897   1.450  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.160  -2.463  -0.369  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.896  -1.840  -1.014  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.702   0.803  -0.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.385   2.096  -0.238  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.087   2.362  -0.025  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -1.441   3.039  -0.398  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.210   2.444  -0.535  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.694   4.524  -0.424  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.717   5.062   1.008  1.00  0.00           C  
HETATM   30  H   UNL     1       2.939  -1.360   1.538  1.00  0.00           H  
HETATM   31  H   UNL     1       7.002   1.104  -1.171  1.00  0.00           H  
HETATM   32  H   UNL     1       4.935  -0.270  -2.865  1.00  0.00           H  
HETATM   33  H   UNL     1       2.851  -1.578  -2.747  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.740  -2.012   1.636  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.955  -0.772   2.056  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.634  -2.299   1.752  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.017  -4.585   1.329  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.477  -4.129   0.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.351  -3.455  -0.777  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.026  -1.816  -0.509  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.148  -1.336  -1.946  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.134  -2.602  -1.181  1.00  0.00           H  
HETATM   43  H   UNL     1       0.626   2.919  -0.663  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.901   5.018  -0.985  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.654   4.720  -0.901  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.757   4.865   1.486  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.901   6.136   0.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.510   4.568   1.570  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3   10   30                                       
CONECT    5    2    6    6                                            
CONECT    6    5    5    7   31                                       
CONECT    7    3    6    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10    4   11    9    9                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14                                            
CONECT   14   13   27   23   23                                       
CONECT   15   12   16   16                                            
CONECT   16   15   15   23   17                                       
CONECT   17   22   16   18                                            
CONECT   18   17   19   34   35                                       
CONECT   19   21   18   20   36                                       
CONECT   20   19   37   38                                            
CONECT   21   22   19   39   40                                       
CONECT   22   17   21   41   42                                       
CONECT   23   14   14   16   24                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24                                                      
CONECT   26   27   24   24   28                                       
CONECT   27   14   26   43                                            
CONECT   28   26   29   44   45                                       
CONECT   29   28   46   47   48                                       
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
