COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.653  -0.193   2.630  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.942   0.631   1.402  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.084   1.405   1.342  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.351   2.162   0.216  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.475   2.147  -0.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.330   1.375  -0.801  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.231   1.356  -2.145  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -6.057   0.617   0.332  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.900  -0.166   0.389  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.729   0.328  -0.060  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.665   1.477  -0.457  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.536  -0.517  -0.072  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.445  -2.194   0.461  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.291  -0.148  -0.503  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.392  -1.094  -0.408  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.781  -2.241   0.071  1.00  0.00           C  
HETATM   17  N   UNL     1       0.035  -3.340   0.239  1.00  0.00           N  
HETATM   18  C   UNL     1       1.410  -3.231   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1       2.043  -2.006   0.161  1.00  0.00           C  
HETATM   20  C   UNL     1       2.144  -4.352  -0.358  1.00  0.00           C  
HETATM   21  C   UNL     1       3.504  -4.249  -0.583  1.00  0.00           C  
HETATM   22  C   UNL     1       4.142  -3.034  -0.442  1.00  0.00           C  
HETATM   23  C   UNL     1       3.415  -1.903  -0.066  1.00  0.00           C  
HETATM   24  C   UNL     1       4.097  -0.601   0.091  1.00  0.00           C  
HETATM   25  O   UNL     1       3.461   0.382   0.419  1.00  0.00           O  
HETATM   26  N   UNL     1       5.423  -0.504  -0.129  1.00  0.00           N  
HETATM   27  C   UNL     1       6.062   0.716   0.019  1.00  0.00           C  
HETATM   28  N   UNL     1       5.369   1.790   0.377  1.00  0.00           N  
HETATM   29  N   UNL     1       7.372   0.812  -0.193  1.00  0.00           N  
HETATM   30  C   UNL     1       7.983   1.975  -0.053  1.00  0.00           C  
HETATM   31  C   UNL     1       9.467   2.078  -0.294  1.00  0.00           C  
HETATM   32  N   UNL     1       7.295   3.047   0.299  1.00  0.00           N  
HETATM   33  C   UNL     1       5.986   2.958   0.517  1.00  0.00           C  
HETATM   34  N   UNL     1       5.269   4.079   0.885  1.00  0.00           N  
HETATM   35  H   UNL     1      -7.097  -1.182   2.517  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.575  -0.292   2.756  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.077   0.298   3.506  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.770   1.419   2.176  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.245   2.766   0.172  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.687   2.739  -1.732  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.939  -1.065   0.752  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.071   0.836  -0.889  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.346  -4.189   0.515  1.00  0.00           H  
HETATM   44  H   UNL     1       1.474  -1.135   0.452  1.00  0.00           H  
HETATM   45  H   UNL     1       1.651  -5.306  -0.470  1.00  0.00           H  
HETATM   46  H   UNL     1       4.070  -5.124  -0.870  1.00  0.00           H  
HETATM   47  H   UNL     1       5.205  -2.959  -0.617  1.00  0.00           H  
HETATM   48  H   UNL     1       5.930  -1.288  -0.391  1.00  0.00           H  
HETATM   49  H   UNL     1       9.648   2.316  -1.342  1.00  0.00           H  
HETATM   50  H   UNL     1       9.883   2.866   0.334  1.00  0.00           H  
HETATM   51  H   UNL     1       9.942   1.129  -0.049  1.00  0.00           H  
HETATM   52  H   UNL     1       5.719   4.932   0.984  1.00  0.00           H  
HETATM   53  H   UNL     1       4.314   4.013   1.044  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    8    1    3    3                                       
CONECT    3    2    2    4   38                                       
CONECT    4    5    5    3   39                                       
CONECT    5    6    4    4   40                                       
CONECT    6    7    8    8    5                                       
CONECT    7    6                                                      
CONECT    8    9    6    6    2                                       
CONECT    9   10    8   41                                            
CONECT   10   12    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   14   14   13   10                                       
CONECT   13   16   12                                                 
CONECT   14   15   12   12   42                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   13                                       
CONECT   17   18   16   43                                            
CONECT   18   19   17   20   20                                       
CONECT   19   23   23   18   44                                       
CONECT   20   18   18   21   45                                       
CONECT   21   22   22   20   46                                       
CONECT   22   23   21   21   47                                       
CONECT   23   24   19   19   22                                       
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   48                                            
CONECT   27   28   28   29   26                                       
CONECT   28   33   27   27                                            
CONECT   29   30   30   27                                            
CONECT   30   32   31   29   29                                       
CONECT   31   30   49   50   51                                       
CONECT   32   33   33   30                                            
CONECT   33   34   32   32   28                                       
CONECT   34   33   52   53                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   34                                                      
CONECT   53   34                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
