COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.728  -1.465  -0.073  1.00  0.00           C  
HETATM    2  C   UNL     1       0.681  -1.632  -0.123  1.00  0.00           C  
HETATM    3  C   UNL     1       1.175  -2.938  -0.202  1.00  0.00           C  
HETATM    4  N   UNL     1       0.309  -3.960  -0.227  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.503  -2.539  -0.104  1.00  0.00           N  
HETATM    6  C   UNL     1       4.141   1.041  -0.104  1.00  0.00           C  
HETATM    7  C   UNL     1       5.302   1.788  -0.102  1.00  0.00           C  
HETATM    8 CL   UNL     1       5.218   3.520  -0.020  1.00  0.00          Cl  
HETATM    9  C   UNL     1       6.534   1.158  -0.164  1.00  0.00           C  
HETATM   10  C   UNL     1       7.798   1.980  -0.160  1.00  0.00           C  
HETATM   11  C   UNL     1       6.610  -0.221  -0.229  1.00  0.00           C  
HETATM   12  C   UNL     1       5.457  -0.979  -0.232  1.00  0.00           C  
HETATM   13  C   UNL     1       4.212  -0.352  -0.164  1.00  0.00           C  
HETATM   14  C   UNL     1       2.973  -1.158  -0.167  1.00  0.00           C  
HETATM   15  S   UNL     1       2.931  -2.909  -0.252  1.00  0.00           S  
HETATM   16  C   UNL     1       1.743  -0.648  -0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.986  -3.753  -0.178  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.283  -0.201   0.011  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.737  -0.034  -0.052  1.00  0.00           C  
HETATM   20  P   UNL     1      -3.385   0.285   1.622  1.00  0.00           P  
HETATM   21  O   UNL     1      -4.977   0.043   1.636  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.738  -0.634   2.585  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.070   1.808   2.039  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.076   1.148  -0.963  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.570   1.237  -1.136  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.307   2.099  -0.346  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.678   2.181  -0.505  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.312   1.400  -1.454  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.575   0.538  -2.244  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.203   0.460  -2.089  1.00  0.00           C  
HETATM   31  H   UNL     1       3.181   1.533  -0.055  1.00  0.00           H  
HETATM   32  H   UNL     1       8.130   2.130   0.868  1.00  0.00           H  
HETATM   33  H   UNL     1       8.573   1.456  -0.719  1.00  0.00           H  
HETATM   34  H   UNL     1       7.604   2.946  -0.624  1.00  0.00           H  
HETATM   35  H   UNL     1       7.573  -0.706  -0.278  1.00  0.00           H  
HETATM   36  H   UNL     1       5.517  -2.056  -0.279  1.00  0.00           H  
HETATM   37  H   UNL     1       1.553   0.413  -0.048  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.652  -4.602  -0.202  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.710   0.575   0.112  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.191  -0.941  -0.450  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.237  -0.873   1.470  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.135   2.046   1.980  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.706   2.070  -0.515  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.605   1.003  -1.936  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.812   2.709   0.395  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.254   2.854   0.112  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.383   1.464  -1.578  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.069  -0.072  -2.985  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.627  -0.210  -2.709  1.00  0.00           H  
CONECT    1   18    5    5    2                                       
CONECT    2    1   16    3    3                                       
CONECT    3    2    2    4   15                                       
CONECT    4   17   17    3                                            
CONECT    5    1    1   17                                            
CONECT    6   13    7    7   31                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7                                                      
CONECT    9   11   11    7   10                                       
CONECT   10    9   32   33   34                                       
CONECT   11   12    9    9   35                                       
CONECT   12   13   13   11   36                                       
CONECT   13   14   12   12    6                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14    3                                                 
CONECT   16    2   14   14   37                                       
CONECT   17    5    4    4   38                                       
CONECT   18   19    1   39                                            
CONECT   19   20   18   24   40                                       
CONECT   20   22   22   21   23                                       
CONECT   20   19                                                      
CONECT   21   20   41                                                 
CONECT   22   20   20                                                 
CONECT   23   20   42                                                 
CONECT   24   19   25   43   44                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   45                                       
CONECT   27   26   28   28   46                                       
CONECT   28   27   27   29   47                                       
CONECT   29   30   30   28   48                                       
CONECT   30   25   29   29   49                                       
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
