COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.511   0.596   1.316  1.00  0.00           C  
HETATM    2 CL   UNL     1       7.761  -0.596  -1.311  1.00  0.00          Cl  
HETATM    3  C   UNL     1       0.181   0.504   1.685  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.564  -0.464   1.173  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.049  -1.335   0.318  1.00  0.00           C  
HETATM    6  N   UNL     1       1.219  -1.280  -0.056  1.00  0.00           N  
HETATM    7  C   UNL     1       2.030  -0.330   0.424  1.00  0.00           C  
HETATM    8  C   UNL     1       4.156   0.839  -0.295  1.00  0.00           C  
HETATM    9  C   UNL     1       3.441  -0.319  -0.017  1.00  0.00           C  
HETATM   10  N   UNL     1       3.628   2.116  -0.207  1.00  0.00           N  
HETATM   11  C   UNL     1       2.836   2.575   0.755  1.00  0.00           C  
HETATM   12  C   UNL     1       2.365   1.698   1.882  1.00  0.00           C  
HETATM   13  C   UNL     1       5.385  -1.650  -0.547  1.00  0.00           C  
HETATM   14  C   UNL     1       6.100  -0.493  -0.817  1.00  0.00           C  
HETATM   15  C   UNL     1       5.493   0.737  -0.692  1.00  0.00           C  
HETATM   16  C   UNL     1       4.070  -1.567  -0.152  1.00  0.00           C  
HETATM   17  S   UNL     1       2.370   4.104   0.714  1.00  0.00           S  
HETATM   18  N   UNL     1      -0.860  -2.332  -0.198  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.230  -2.333   0.080  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.900  -1.139   0.337  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.257  -1.191   0.607  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.898  -2.416   0.613  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.236  -3.529   0.366  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.945  -3.524   0.099  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.027   0.073   0.892  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.573   0.644  -0.418  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.354   1.928  -0.129  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.878   2.476  -1.387  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.883   1.580  -1.974  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.427   3.823  -1.186  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.235  -4.824  -0.177  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.244   1.212   2.382  1.00  0.00           H  
HETATM   33  H   UNL     1       3.861   2.735  -0.916  1.00  0.00           H  
HETATM   34  H   UNL     1       1.779   2.289   2.585  1.00  0.00           H  
HETATM   35  H   UNL     1       3.226   1.267   2.393  1.00  0.00           H  
HETATM   36  H   UNL     1       5.859  -2.615  -0.649  1.00  0.00           H  
HETATM   37  H   UNL     1       6.056   1.634  -0.904  1.00  0.00           H  
HETATM   38  H   UNL     1       3.517  -2.470   0.058  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.477  -3.030  -0.753  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.374  -0.196   0.326  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.957  -2.462   0.823  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.855  -0.149   1.564  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.366   0.803   1.359  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.744   0.867  -1.091  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.234  -0.086  -0.885  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.182   1.705   0.543  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.693   2.658   0.338  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.710   1.455  -1.275  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.254   2.009  -2.904  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.430   0.609  -2.177  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.643   4.484  -0.817  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.808   4.206  -2.133  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.238   3.780  -0.459  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.271  -5.038  -1.245  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.196  -4.746   0.143  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.724  -5.629   0.372  1.00  0.00           H  
CONECT    1    3    3    7   12                                       
CONECT    2   14                                                      
CONECT    3    1    1    4   32                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   18    6                                       
CONECT    6    5    7    7                                            
CONECT    7    1    6    6    9                                       
CONECT    8    9    9   10   15                                       
CONECT    9    7    8    8   16                                       
CONECT   10    8   11   33                                            
CONECT   11   10   12   17   17                                       
CONECT   12    1   11   34   35                                       
CONECT   13   16   16   14   36                                       
CONECT   14    2   13   15   15                                       
CONECT   15    8   14   14   37                                       
CONECT   16    9   13   13   38                                       
CONECT   17   11   11                                                 
CONECT   18    5   19   39                                            
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23   23   41                                       
CONECT   23   22   22   24                                            
CONECT   24   19   19   23   31                                       
CONECT   25   21   26   42   43                                       
CONECT   26   25   27   44   45                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   29   30                                            
CONECT   29   28   48   49   50                                       
CONECT   30   28   51   52   53                                       
CONECT   31   24   54   55   56                                       
CONECT   32    3                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
