COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.833   2.950  -0.388  1.00  0.00           C  
HETATM    2  C   UNL     1       1.353   1.753  -1.166  1.00  0.00           C  
HETATM    3  C   UNL     1       2.001   3.639   0.322  1.00  0.00           C  
HETATM    4  C   UNL     1       2.282   0.908  -0.338  1.00  0.00           C  
HETATM    5  O   UNL     1       0.225   3.872  -1.294  1.00  0.00           O  
HETATM    6  O   UNL     1       2.082   2.240  -2.295  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.255   3.178   1.817  1.00  0.00           O  
HETATM    8  O   UNL     1       0.340   0.273  -2.863  1.00  0.00           O  
HETATM    9  O   UNL     1       2.049  -0.797  -1.988  1.00  0.00           O  
HETATM   10  O   UNL     1       5.025  -3.004  -0.087  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.893   1.215   2.533  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.245  -0.229  -2.600  1.00  0.00           O  
HETATM   13  O   UNL     1       3.135  -3.191  -1.286  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.266  -1.689  -1.995  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.254   0.272   2.907  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.291  -2.459  -0.276  1.00  0.00           O  
HETATM   17  C   UNL     1       2.520   2.712   1.419  1.00  0.00           C  
HETATM   18  C   UNL     1       2.826   1.348   0.853  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.180   2.530   0.647  1.00  0.00           C  
HETATM   20  C   UNL     1       0.220   0.909  -1.689  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.030   1.474   0.380  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.943   0.792  -0.953  1.00  0.00           C  
HETATM   23  C   UNL     1       2.589  -0.363  -0.822  1.00  0.00           C  
HETATM   24  C   UNL     1       3.686   0.537   1.580  1.00  0.00           C  
HETATM   25  C   UNL     1       3.453  -1.186  -0.105  1.00  0.00           C  
HETATM   26  C   UNL     1       4.008  -0.729   1.116  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.011   0.972   1.344  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.115   0.048  -1.419  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.134  -0.361  -0.438  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.143   0.169   0.851  1.00  0.00           C  
HETATM   31  C   UNL     1       4.907  -1.643   1.830  1.00  0.00           C  
HETATM   32  C   UNL     1       3.841  -2.532  -0.545  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.231  -1.262  -0.858  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.220  -0.215   1.793  1.00  0.00           C  
HETATM   35  C   UNL     1       5.358  -2.735   1.190  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.285  -1.640   0.110  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.244  -1.179   1.386  1.00  0.00           C  
HETATM   38  C   UNL     1       6.267  -3.687   1.924  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.276  -2.784   0.707  1.00  0.00           C  
HETATM   40  H   UNL     1       2.798   3.840  -0.394  1.00  0.00           H  
HETATM   41  H   UNL     1       1.660   4.574   0.766  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.132   4.664  -0.869  1.00  0.00           H  
HETATM   43  H   UNL     1       2.454   1.543  -2.853  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.922   2.870   2.447  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.414  -0.256  -3.155  1.00  0.00           H  
HETATM   46  H   UNL     1       2.579  -0.587  -2.770  1.00  0.00           H  
HETATM   47  H   UNL     1       3.427   3.135   1.850  1.00  0.00           H  
HETATM   48  H   UNL     1       1.764   2.617   2.199  1.00  0.00           H  
HETATM   49  H   UNL     1       4.105   0.893   2.510  1.00  0.00           H  
HETATM   50  H   UNL     1       5.200  -1.442   2.849  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.017  -1.464   2.083  1.00  0.00           H  
HETATM   52  H   UNL     1       5.668  -4.446   2.427  1.00  0.00           H  
HETATM   53  H   UNL     1       6.940  -4.168   1.214  1.00  0.00           H  
HETATM   54  H   UNL     1       6.850  -3.137   2.662  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.797  -3.285   1.548  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.759  -1.871   1.054  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.023  -3.446   0.267  1.00  0.00           H  
CONECT    1   19    3    2    5                                       
CONECT    2   20    1    4    6                                       
CONECT    3    1   17   40   41                                       
CONECT    4    2   18   18   23                                       
CONECT    5    1   42                                                 
CONECT    6    2   43                                                 
CONECT    7   19   44                                                 
CONECT    8   20   45                                                 
CONECT    9   23   46                                                 
CONECT   10   32   35                                                 
CONECT   11   27   27                                                 
CONECT   12   28   28                                                 
CONECT   13   32   32                                                 
CONECT   14   33   33                                                 
CONECT   15   34   34                                                 
CONECT   16   39   36                                                 
CONECT   17    3   18   47   48                                       
CONECT   18   17    4    4   24                                       
CONECT   19   21   21    7    1                                       
CONECT   20   22   22    8    2                                       
CONECT   21   27   22   19   19                                       
CONECT   22   28   21   20   20                                       
CONECT   23    4    9   25   25                                       
CONECT   24   18   26   26   49                                       
CONECT   25   23   23   26   32                                       
CONECT   26   24   24   25   31                                       
CONECT   27   30   11   11   21                                       
CONECT   28   29   12   12   22                                       
CONECT   29   33   30   30   28                                       
CONECT   30   34   29   29   27                                       
CONECT   31   26   35   35   50                                       
CONECT   32   25   13   13   10                                       
CONECT   33   36   14   14   29                                       
CONECT   34   37   15   15   30                                       
CONECT   35   31   31   10   38                                       
CONECT   36   16   37   37   33                                       
CONECT   37   36   36   34   51                                       
CONECT   38   35   52   53   54                                       
CONECT   39   16   55   56   57                                       
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   24                                                      
CONECT   50   31                                                      
CONECT   51   37                                                      
CONECT   52   38                                                      
CONECT   53   38                                                      
CONECT   54   38                                                      
CONECT   55   39                                                      
CONECT   56   39                                                      
CONECT   57   39                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
