COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O2* UNL     1      -0.393  -2.060   1.878  1.00  0.00           O  
HETATM    2  C5* UNL     1      -4.202  -2.909  -0.950  1.00  0.00           C  
HETATM    3  C   UNL     1       0.210   1.102  -0.259  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.303   2.649  -0.027  1.00  0.00           C  
HETATM    5  N   UNL     1       0.021   2.395  -0.185  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.073   3.816   0.107  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.967   2.507   0.266  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.388   3.694   0.249  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.964   1.411   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1       2.652   1.293  -0.525  1.00  0.00           C  
HETATM   11  C   UNL     1       3.844   0.386  -0.695  1.00  0.00           C  
HETATM   12  C   UNL     1       4.448   0.263  -1.931  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.283   1.387   0.160  1.00  0.00           N  
HETATM   14  C   UNL     1       5.541  -0.568  -2.087  1.00  0.00           C  
HETATM   15  C   UNL     1       6.030  -1.278  -1.007  1.00  0.00           C  
HETATM   16  C   UNL     1       5.427  -1.156   0.231  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.474   5.066   0.091  1.00  0.00           N  
HETATM   18 CL   UNL     1       3.578  -0.165   1.943  1.00  0.00          Cl  
HETATM   19  C   UNL     1       4.337  -0.319   0.389  1.00  0.00           C  
HETATM   20  N   UNL     1       1.435   0.486  -0.421  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.988   0.452  -0.145  1.00  0.00           N  
HETATM   22  C1* UNL     1      -1.195  -0.998  -0.173  1.00  0.00           C  
HETATM   23  C2* UNL     1      -1.550  -1.518   1.237  1.00  0.00           C  
HETATM   24  C3* UNL     1      -2.594  -2.627   0.976  1.00  0.00           C  
HETATM   25  O3* UNL     1      -2.113  -3.888   1.447  1.00  0.00           O  
HETATM   26  C4* UNL     1      -2.745  -2.646  -0.561  1.00  0.00           C  
HETATM   27  O4* UNL     1      -2.341  -1.327  -0.988  1.00  0.00           O  
HETATM   28  O5* UNL     1      -4.300  -3.038  -2.369  1.00  0.00           O  
HETATM   29  H2* UNL     1      -0.560  -2.401   2.767  1.00  0.00           H  
HETATM   30 H5*1 UNL     1      -4.544  -3.829  -0.477  1.00  0.00           H  
HETATM   31 H5*2 UNL     1      -4.822  -2.077  -0.617  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.039   2.453   0.384  1.00  0.00           H  
HETATM   33  H   UNL     1       2.774   1.887   0.382  1.00  0.00           H  
HETATM   34  H   UNL     1       2.576   1.957  -1.386  1.00  0.00           H  
HETATM   35  H   UNL     1       4.066   0.817  -2.776  1.00  0.00           H  
HETATM   36  H   UNL     1       6.013  -0.664  -3.054  1.00  0.00           H  
HETATM   37  H   UNL     1       6.884  -1.928  -1.129  1.00  0.00           H  
HETATM   38  H   UNL     1       5.812  -1.707   1.076  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.513   5.142  -0.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.017   5.864   0.184  1.00  0.00           H  
HETATM   41  H   UNL     1       1.489  -0.482  -0.465  1.00  0.00           H  
HETATM   42  H1* UNL     1      -0.304  -1.500  -0.551  1.00  0.00           H  
HETATM   43  H2* UNL     1      -1.981  -0.720   1.841  1.00  0.00           H  
HETATM   44  H3* UNL     1      -3.543  -2.378   1.451  1.00  0.00           H  
HETATM   45  H3* UNL     1      -2.729  -4.621   1.309  1.00  0.00           H  
HETATM   46  H4* UNL     1      -2.093  -3.402  -0.998  1.00  0.00           H  
HETATM   47  H5* UNL     1      -5.198  -3.206  -2.688  1.00  0.00           H  
CONECT    1   23   29                                                 
CONECT    2   26   28   30   31                                       
CONECT    3   21    5    5   20                                       
CONECT    4    9    9    6    5                                       
CONECT    5    4    3    3                                            
CONECT    6    8    8    4   17                                       
CONECT    7   13   13    8   32                                       
CONECT    8    7    6    6                                            
CONECT    9   13   21    4    4                                       
CONECT   10   20   11   33   34                                       
CONECT   11   19   10   12   12                                       
CONECT   12   11   11   14   35                                       
CONECT   13    7    7    9                                            
CONECT   14   15   15   12   36                                       
CONECT   15   16   14   14   37                                       
CONECT   16   19   19   15   38                                       
CONECT   17    6   39   40                                            
CONECT   18   19                                                      
CONECT   19   18   16   16   11                                       
CONECT   20    3   10   41                                            
CONECT   21   22    9    3                                            
CONECT   22   23   21   27   42                                       
CONECT   23    1   24   22   43                                       
CONECT   24   25   23   26   44                                       
CONECT   25   24   45                                                 
CONECT   26   24   27    2   46                                       
CONECT   27   22   26                                                 
CONECT   28    2   47                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
