COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.052  -1.556  -1.251  1.00  0.00           O  
HETATM    2  C   UNL     1       4.990   2.430   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       3.659   1.546  -1.929  1.00  0.00           C  
HETATM    4  C   UNL     1       1.508   2.646  -1.277  1.00  0.00           C  
HETATM    5  C   UNL     1       0.168   2.596  -0.955  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.494   1.367  -0.926  1.00  0.00           C  
HETATM    7  C   UNL     1       0.206   0.197  -1.224  1.00  0.00           C  
HETATM    8  C   UNL     1       1.546   0.262  -1.545  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.930   1.305  -0.581  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.892   0.044  -0.117  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.708  -0.998  -0.540  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.517  -0.113   0.756  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.394   1.009   0.746  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.562   1.728   2.436  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.165  -2.046  -1.476  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.459  -3.114  -0.680  1.00  0.00           C  
HETATM   17  C   UNL     1       5.660   0.558   1.094  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.016  -1.073  -0.102  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.708   0.933   1.178  1.00  0.00           C  
HETATM   20  C   UNL     1       4.902   0.181  -0.024  1.00  0.00           C  
HETATM   21  C   UNL     1       4.706  -1.192  -0.289  1.00  0.00           C  
HETATM   22  C   UNL     1       5.989  -1.668   1.627  1.00  0.00           C  
HETATM   23  C   UNL     1       4.488   1.422  -0.677  1.00  0.00           C  
HETATM   24  C   UNL     1       2.196   1.483  -1.572  1.00  0.00           C  
HETATM   25  N   UNL     1       6.177  -0.394   1.884  1.00  0.00           N  
HETATM   26  N   UNL     1       5.262  -2.092   0.553  1.00  0.00           N  
HETATM   27  N   UNL     1       5.694   1.922   1.118  1.00  0.00           N  
HETATM   28  N   UNL     1       6.539  -2.603   2.467  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.566   0.117  -0.554  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.537   2.326  -0.321  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.202   1.876   2.023  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.403  -3.031   0.524  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.893  -4.156  -1.309  1.00  0.00           O  
HETATM   34  H   UNL     1       4.863   3.480  -0.162  1.00  0.00           H  
HETATM   35  H   UNL     1       3.874   2.499  -2.414  1.00  0.00           H  
HETATM   36  H   UNL     1       3.903   0.730  -2.609  1.00  0.00           H  
HETATM   37  H   UNL     1       2.020   3.597  -1.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.368   3.505  -0.725  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.300  -0.757  -1.204  1.00  0.00           H  
HETATM   40  H   UNL     1       2.089  -0.643  -1.776  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.539  -0.177   1.099  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.761   1.818   1.080  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.683   0.778   2.956  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.829   2.545   3.106  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.212   1.749   1.561  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.986  -2.493  -2.036  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.462  -1.585  -2.170  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.648  -1.886  -0.429  1.00  0.00           H  
HETATM   49  H   UNL     1       5.144  -3.041   0.394  1.00  0.00           H  
HETATM   50  H   UNL     1       6.152   2.454   1.787  1.00  0.00           H  
HETATM   51  H   UNL     1       7.057  -2.319   3.237  1.00  0.00           H  
HETATM   52  H   UNL     1       6.410  -3.548   2.292  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.104  -0.687  -0.839  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.452  -4.815  -0.757  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2   27   23   23   34                                       
CONECT    3   23   24   35   36                                       
CONECT    4    5    5   24   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    9    7    7                                       
CONECT    7    6    6    8   39                                       
CONECT    8   24   24    7   40                                       
CONECT    9   29    6   30   30                                       
CONECT   10   11   11   13   29                                       
CONECT   11   18   15   10   10                                       
CONECT   12   18   18   19   41                                       
CONECT   13   19   19   10   42                                       
CONECT   14   31   43   44   45                                       
CONECT   15   16   11   46   47                                       
CONECT   16   32   32   33   15                                       
CONECT   17   25   27   20   20                                       
CONECT   18   12   12   11   48                                       
CONECT   19   12   31   13   13                                       
CONECT   20   17   17   21   23                                       
CONECT   21   26   20    1    1                                       
CONECT   22   28   25   25   26                                       
CONECT   23   20    2    2    3                                       
CONECT   24    4    3    8    8                                       
CONECT   25   22   22   17                                            
CONECT   26   22   21   49                                            
CONECT   27   17    2   50                                            
CONECT   28   22   51   52                                            
CONECT   29   10    9   53                                            
CONECT   30    9    9                                                 
CONECT   31   14   19                                                 
CONECT   32   16   16                                                 
CONECT   33   16   54                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
