COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.925   2.579   1.184  1.00  0.00           C  
HETATM    2  C   UNL     1       6.119   1.845   0.143  1.00  0.00           C  
HETATM    3  C   UNL     1       6.810   1.204  -1.032  1.00  0.00           C  
HETATM    4  C   UNL     1       4.816   1.764   0.261  1.00  0.00           C  
HETATM    5  C   UNL     1       4.023   0.922  -0.705  1.00  0.00           C  
HETATM    6  C   UNL     1       3.177  -0.061   0.063  1.00  0.00           C  
HETATM    7  C   UNL     1       1.837   0.198   0.273  1.00  0.00           C  
HETATM    8  C   UNL     1       3.743  -1.229   0.554  1.00  0.00           C  
HETATM    9  O   UNL     1       5.060  -1.487   0.344  1.00  0.00           O  
HETATM   10  C   UNL     1       2.961  -2.132   1.260  1.00  0.00           C  
HETATM   11  C   UNL     1       1.622  -1.866   1.472  1.00  0.00           C  
HETATM   12  C   UNL     1       1.060  -0.704   0.977  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.403  -0.420   1.205  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.222  -1.004   0.052  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.701  -0.488  -1.265  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.111   0.565  -1.310  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.893  -1.199  -2.387  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.365  -0.641  -3.619  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.157  -2.433   0.079  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.405  -2.912   0.236  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.698  -4.091   0.300  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.358  -1.805   0.320  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.703  -1.927   0.480  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.678  -0.637   0.213  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.246   0.718   0.248  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.180   1.536  -0.887  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.713   2.805  -0.849  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.315   3.275   0.312  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.838   4.527   0.344  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.382   2.467   1.441  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.858   1.194   1.413  1.00  0.00           C  
HETATM   32  H   UNL     1       7.222   1.885   1.970  1.00  0.00           H  
HETATM   33  H   UNL     1       7.815   3.005   0.720  1.00  0.00           H  
HETATM   34  H   UNL     1       6.321   3.379   1.614  1.00  0.00           H  
HETATM   35  H   UNL     1       7.872   1.451  -1.008  1.00  0.00           H  
HETATM   36  H   UNL     1       6.688   0.122  -0.980  1.00  0.00           H  
HETATM   37  H   UNL     1       6.372   1.576  -1.958  1.00  0.00           H  
HETATM   38  H   UNL     1       4.311   2.301   1.050  1.00  0.00           H  
HETATM   39  H   UNL     1       3.379   1.566  -1.304  1.00  0.00           H  
HETATM   40  H   UNL     1       4.706   0.380  -1.360  1.00  0.00           H  
HETATM   41  H   UNL     1       1.395   1.105  -0.112  1.00  0.00           H  
HETATM   42  H   UNL     1       5.240  -1.977  -0.470  1.00  0.00           H  
HETATM   43  H   UNL     1       3.399  -3.041   1.642  1.00  0.00           H  
HETATM   44  H   UNL     1       1.013  -2.569   2.021  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.719  -0.875   2.143  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.560   0.658   1.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.588  -1.314  -4.448  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.825   0.329  -3.805  1.00  0.00           H  
HETATM   49  H   UNL     1       0.715  -0.521  -3.530  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.011  -2.842   0.538  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.713   1.171  -1.789  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.663   3.436  -1.724  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.767   4.572   0.079  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.851   2.837   2.341  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.915   0.566   2.289  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1    4    4                                       
CONECT    3    2   35   36   37                                       
CONECT    4    2    2    5   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    8    5    7    7                                       
CONECT    7    6    6   12   41                                       
CONECT    8    9   10   10    6                                       
CONECT    9    8   42                                                 
CONECT   10    8    8   11   43                                       
CONECT   11   10   12   12   44                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   45   46                                       
CONECT   14   19   15   13   24                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15                                                 
CONECT   18   17   47   48   49                                       
CONECT   19   20   14                                                 
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   24   24                                       
CONECT   23   22   50                                                 
CONECT   24   22   22   14   25                                       
CONECT   25   24   31   31   26                                       
CONECT   26   25   27   27   51                                       
CONECT   27   26   26   28   52                                       
CONECT   28   30   30   27   29                                       
CONECT   29   28   53                                                 
CONECT   30   31   28   28   54                                       
CONECT   31   25   25   30   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
