COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.950   3.622  -0.298  1.00  0.00           C  
HETATM    2  C   UNL     1       1.837   2.773  -0.161  1.00  0.00           C  
HETATM    3  C   UNL     1       2.024   1.374  -0.267  1.00  0.00           C  
HETATM    4  C   UNL     1       3.305   0.860  -0.505  1.00  0.00           C  
HETATM    5  C   UNL     1       4.360   1.713  -0.632  1.00  0.00           C  
HETATM    6  C   UNL     1       4.180   3.091  -0.534  1.00  0.00           C  
HETATM    7  N   UNL     1       0.617   3.269   0.067  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.432   2.492   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.335   1.108   0.107  1.00  0.00           C  
HETATM   10  C   UNL     1       0.900   0.520  -0.129  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.779   3.116   0.453  1.00  0.00           C  
HETATM   12  C   UNL     1       1.040  -0.951  -0.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.565   0.251   0.264  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.637   0.812  -0.496  1.00  0.00           O  
HETATM   15  C   UNL     1       0.433  -1.640  -1.281  1.00  0.00           C  
HETATM   16  C   UNL     1       0.568  -3.011  -1.372  1.00  0.00           C  
HETATM   17  C   UNL     1       1.303  -3.700  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1       1.907  -3.022   0.619  1.00  0.00           C  
HETATM   19  C   UNL     1       1.785  -1.651   0.718  1.00  0.00           C  
HETATM   20  C   UNL     1       1.445  -5.197  -0.529  1.00  0.00           C  
HETATM   21  C   UNL     1       2.706  -3.781   1.647  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.570  -0.153  -0.985  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.846  -1.148  -1.893  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.196  -0.900   0.194  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.668   0.557  -1.780  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.956   0.195   1.719  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.003   0.676   2.082  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.141  -0.390   2.610  1.00  0.00           O  
HETATM   29  H   UNL     1       2.827   4.693  -0.221  1.00  0.00           H  
HETATM   30  H   UNL     1       3.456  -0.206  -0.587  1.00  0.00           H  
HETATM   31  H   UNL     1       5.348   1.316  -0.815  1.00  0.00           H  
HETATM   32  H   UNL     1       5.031   3.747  -0.639  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.271   3.322  -0.498  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.392   2.431   1.039  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.649   4.048   1.003  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.354  -0.757  -0.094  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.141  -1.103  -2.021  1.00  0.00           H  
HETATM   38  H   UNL     1       0.098  -3.546  -2.184  1.00  0.00           H  
HETATM   39  H   UNL     1       2.261  -1.123   1.530  1.00  0.00           H  
HETATM   40  H   UNL     1       2.326  -5.437  -1.124  1.00  0.00           H  
HETATM   41  H   UNL     1       1.553  -5.622   0.469  1.00  0.00           H  
HETATM   42  H   UNL     1       0.559  -5.614  -1.008  1.00  0.00           H  
HETATM   43  H   UNL     1       3.746  -3.844   1.326  1.00  0.00           H  
HETATM   44  H   UNL     1       2.652  -3.263   2.604  1.00  0.00           H  
HETATM   45  H   UNL     1       2.298  -4.786   1.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.063  -1.654  -1.327  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.557  -1.885  -2.266  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.400  -0.616  -2.733  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.712  -0.191   0.841  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.908  -1.637  -0.179  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.413  -1.406   0.760  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.223   1.089  -2.620  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.380  -0.180  -2.152  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.185   1.266  -1.132  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.434  -0.402   3.532  1.00  0.00           H  
CONECT    1    6    6    2   29                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   32                                       
CONECT    7    2    8    8                                            
CONECT    8    7    7   11    9                                       
CONECT    9    8   10   10   13                                       
CONECT   10    3    9    9   12                                       
CONECT   11    8   33   34   35                                       
CONECT   12   10   15   15   19                                       
CONECT   13    9   14   26   36                                       
CONECT   14   13   22                                                 
CONECT   15   12   12   16   37                                       
CONECT   16   15   17   17   38                                       
CONECT   17   16   16   20   18                                       
CONECT   18   17   19   19   21                                       
CONECT   19   12   18   18   39                                       
CONECT   20   17   40   41   42                                       
CONECT   21   18   43   44   45                                       
CONECT   22   14   23   25   24                                       
CONECT   23   22   46   47   48                                       
CONECT   24   22   49   50   51                                       
CONECT   25   22   52   53   54                                       
CONECT   26   13   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   55                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
