COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.647  -1.062   0.137  1.00  0.00           C  
HETATM    2  C   UNL     1       4.231  -0.638   1.018  1.00  0.00           C  
HETATM    3  C   UNL     1       0.250  -1.216  -0.312  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.029   2.115   0.927  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.588   1.232  -0.817  1.00  0.00           O  
HETATM    6  O   UNL     1       5.349  -0.380   1.424  1.00  0.00           O  
HETATM    7  C   UNL     1       2.235  -3.422  -0.496  1.00  0.00           C  
HETATM    8  C   UNL     1       4.854  -2.991   0.392  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.456  -0.495  -1.773  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.399  -1.127  -2.404  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.697  -0.049   2.646  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.279  -0.944   0.876  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.124  -1.028  -1.884  1.00  0.00           C  
HETATM   14  C   UNL     1       3.140   3.276  -0.215  1.00  0.00           C  
HETATM   15  C   UNL     1       5.393   2.570   0.183  1.00  0.00           C  
HETATM   16  C   UNL     1       3.179  -4.425  -0.568  1.00  0.00           C  
HETATM   17  C   UNL     1       4.478  -4.211  -0.129  1.00  0.00           C  
HETATM   18  C   UNL     1       5.833   3.405  -0.827  1.00  0.00           C  
HETATM   19  C   UNL     1       3.579   4.106  -1.229  1.00  0.00           C  
HETATM   20  C   UNL     1       4.926   4.170  -1.536  1.00  0.00           C  
HETATM   21  N   UNL     1       2.059   0.074   0.645  1.00  0.00           N  
HETATM   22  S   UNL     1      -5.587   1.046   0.175  1.00  0.00           S  
HETATM   23  N   UNL     1       3.251   0.288   1.058  1.00  0.00           N  
HETATM   24  C   UNL     1       2.593  -2.184   0.026  1.00  0.00           C  
HETATM   25  C   UNL     1       3.916  -1.967   0.476  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.238   0.243  -0.624  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.611  -0.184  -0.201  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.212  -0.024   1.275  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.964   0.351  -0.102  1.00  0.00           C  
HETATM   30  C   UNL     1       3.569   1.610   1.603  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.902  -0.292  -0.727  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.125  -2.273  -0.782  1.00  0.00           O  
HETATM   33  C   UNL     1       4.047   2.510   0.493  1.00  0.00           C  
HETATM   34  H   UNL     1       1.227  -3.596  -0.842  1.00  0.00           H  
HETATM   35  H   UNL     1       5.867  -2.831   0.731  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.452  -0.574  -2.182  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.572  -1.699  -3.303  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.274   0.641   3.263  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.786  -1.057   3.049  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.650   0.252   2.647  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.248  -0.477   1.054  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.179  -1.180  -0.184  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.206  -1.861   1.461  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.299  -1.522  -2.377  1.00  0.00           H  
HETATM   45  H   UNL     1       2.089   3.229   0.027  1.00  0.00           H  
HETATM   46  H   UNL     1       6.102   1.972   0.737  1.00  0.00           H  
HETATM   47  H   UNL     1       2.904  -5.388  -0.973  1.00  0.00           H  
HETATM   48  H   UNL     1       5.203  -5.009  -0.197  1.00  0.00           H  
HETATM   49  H   UNL     1       6.885   3.458  -1.063  1.00  0.00           H  
HETATM   50  H   UNL     1       2.870   4.704  -1.783  1.00  0.00           H  
HETATM   51  H   UNL     1       5.269   4.819  -2.328  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.335   0.633   0.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.795   0.923   0.798  1.00  0.00           H  
HETATM   54  H   UNL     1       2.677   2.039   2.060  1.00  0.00           H  
HETATM   55  H   UNL     1       4.352   1.514   2.356  1.00  0.00           H  
CONECT    1   21   21   24    3                                       
CONECT    2    6    6   23   25                                       
CONECT    3    1   27   32   32                                       
CONECT    4   22   22                                                 
CONECT    5   22   22                                                 
CONECT    6    2    2                                                 
CONECT    7   24   24   16   34                                       
CONECT    8   25   25   17   35                                       
CONECT    9   26   26   10   36                                       
CONECT   10   13   13    9   37                                       
CONECT   11   28   38   39   40                                       
CONECT   12   28   41   42   43                                       
CONECT   13   31   10   10   44                                       
CONECT   14   19   33   33   45                                       
CONECT   15   18   18   33   46                                       
CONECT   16   17   17    7   47                                       
CONECT   17    8   16   16   48                                       
CONECT   18   20   15   15   49                                       
CONECT   19   20   20   14   50                                       
CONECT   20   19   19   18   51                                       
CONECT   21   23    1    1                                            
CONECT   22    4    4   28   26                                       
CONECT   22    5    5                                                 
CONECT   23   30    2   21                                            
CONECT   24   25    1    7    7                                       
CONECT   25    2    8    8   24                                       
CONECT   26   29   22    9    9                                       
CONECT   27    3   31   52                                            
CONECT   28   11   22   12                                            
CONECT   29   31   31   26   53                                       
CONECT   30   33   23   54   55                                       
CONECT   31   27   29   29   13                                       
CONECT   32    3    3                                                 
CONECT   33   14   14   15   30                                       
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
