COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.170   0.142   1.450  1.00  0.00           C  
HETATM    2  C   UNL     1       2.073   0.382  -0.837  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.469  -1.128   1.838  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.123  -2.208   1.008  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.466  -1.956  -0.222  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.416  -3.533   1.374  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.065  -4.554   0.545  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.420  -4.306  -0.665  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.119  -3.036  -1.052  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.173  -0.631  -0.589  1.00  0.00           C  
HETATM   11  C   UNL     1       0.779   0.760  -0.679  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.545   0.804  -1.013  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.660   2.410   0.372  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.524   0.389   0.240  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.412   0.243  -1.374  1.00  0.00           C  
HETATM   16  C   UNL     1       3.141   1.115  -0.147  1.00  0.00           C  
HETATM   17  C   UNL     1       2.908   2.406   0.340  1.00  0.00           C  
HETATM   18  C   UNL     1       3.916   3.088   0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       5.159   2.501   1.158  1.00  0.00           C  
HETATM   20  C   UNL     1       5.404   1.227   0.683  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.558   1.745  -0.097  1.00  0.00           C  
HETATM   22  C   UNL     1       4.402   0.522   0.034  1.00  0.00           C  
HETATM   23  C   UNL     1       5.849  -1.291  -0.163  1.00  0.00           C  
HETATM   24  C   UNL     1       6.089  -1.861   1.079  1.00  0.00           C  
HETATM   25  C   UNL     1       7.318  -2.431   1.349  1.00  0.00           C  
HETATM   26  C   UNL     1       8.308  -2.433   0.385  1.00  0.00           C  
HETATM   27  C   UNL     1       8.072  -1.865  -0.854  1.00  0.00           C  
HETATM   28  C   UNL     1       6.843  -1.299  -1.132  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.352  -0.636  -2.219  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.082   2.873   0.476  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.041   2.051  -1.642  1.00  0.00           O  
HETATM   32  O   UNL     1       4.641  -0.729  -0.432  1.00  0.00           O  
HETATM   33  S   UNL     1      -4.161   2.049  -0.226  1.00  0.00           S  
HETATM   34  S   UNL     1       0.120   1.989   0.420  1.00  0.00           S  
HETATM   35  H   UNL     1      -5.441   0.970   2.088  1.00  0.00           H  
HETATM   36  H   UNL     1       2.317  -0.458  -1.470  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.970  -1.305   2.778  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.916  -3.740   2.309  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.293  -5.571   0.828  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.153  -5.134  -1.305  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.618  -2.859  -1.992  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.673  -0.424  -1.523  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.561   3.093   1.054  1.00  0.00           H  
HETATM   44  H   UNL     1       1.941   2.868   0.208  1.00  0.00           H  
HETATM   45  H   UNL     1       3.736   4.084   1.362  1.00  0.00           H  
HETATM   46  H   UNL     1       5.943   3.043   1.666  1.00  0.00           H  
HETATM   47  H   UNL     1       6.375   0.776   0.824  1.00  0.00           H  
HETATM   48  H   UNL     1       5.316  -1.859   1.833  1.00  0.00           H  
HETATM   49  H   UNL     1       7.505  -2.875   2.316  1.00  0.00           H  
HETATM   50  H   UNL     1       9.270  -2.875   0.600  1.00  0.00           H  
HETATM   51  H   UNL     1       8.847  -1.868  -1.606  1.00  0.00           H  
HETATM   52  H   UNL     1       6.659  -0.856  -2.099  1.00  0.00           H  
CONECT    1    3    3   14   35                                       
CONECT    2   16   11   11   36                                       
CONECT    3    4    1    1   37                                       
CONECT    4    6    6    5    3                                       
CONECT    5    9    9    4   10                                       
CONECT    6    7    4    4   38                                       
CONECT    7    8    8    6   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9    8    5    5   41                                       
CONECT   10    5   14   14   42                                       
CONECT   11    2    2   34   15                                       
CONECT   12   15   21   21                                            
CONECT   13   33   21   43                                            
CONECT   14   10   10    1   33                                       
CONECT   15   11   29   29   12                                       
CONECT   16   22    2   17   17                                       
CONECT   17   16   16   18   44                                       
CONECT   18   19   19   17   45                                       
CONECT   19   20   18   18   46                                       
CONECT   20   22   22   19   47                                       
CONECT   21   34   12   12   13                                       
CONECT   22   32   20   20   16                                       
CONECT   23   28   28   24   32                                       
CONECT   24   25   25   23   48                                       
CONECT   25   26   24   24   49                                       
CONECT   26   27   27   25   50                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   23   23   52                                       
CONECT   29   15   15                                                 
CONECT   30   33   33                                                 
CONECT   31   33   33                                                 
CONECT   32   23   22                                                 
CONECT   33   14   30   30   13                                       
CONECT   33   31   31                                                 
CONECT   34   11   21                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
