COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.487   2.414   0.088  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.840   3.773   0.017  1.00  0.00           C  
HETATM    3  C   UNL     1       0.321  -0.748  -0.265  1.00  0.00           C  
HETATM    4  C   UNL     1       1.142   0.540  -0.359  1.00  0.00           C  
HETATM    5  C   UNL     1       2.602   0.196  -0.502  1.00  0.00           C  
HETATM    6  C   UNL     1       4.658  -0.266  -0.010  1.00  0.00           C  
HETATM    7  C   UNL     1       2.695   0.094  -3.009  1.00  0.00           C  
HETATM    8  C   UNL     1       6.967  -0.812  -0.131  1.00  0.00           C  
HETATM    9  C   UNL     1       8.204  -0.518   0.745  1.00  0.00           C  
HETATM   10  C   UNL     1       7.713   0.485   1.809  1.00  0.00           C  
HETATM   11  C   UNL     1       6.221   0.714   1.486  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.425  -1.126   0.113  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.080  -1.433  -0.019  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.139  -0.404  -0.122  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.503   0.850  -0.097  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.435  -2.198   0.223  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.089  -3.364   0.199  1.00  0.00           O  
HETATM   18  N   UNL     1      -5.739  -1.885   0.352  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.740  -2.949   0.461  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.814   0.238   0.140  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.848   1.209   0.034  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.808   2.160   0.222  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.988   0.837   0.246  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.896   3.197   0.327  1.00  0.00           C  
HETATM   25  N   UNL     1       3.257   0.006  -1.659  1.00  0.00           N  
HETATM   26  N   UNL     1       4.587  -0.292  -1.320  1.00  0.00           N  
HETATM   27  N   UNL     1       3.452   0.036   0.481  1.00  0.00           N  
HETATM   28  N   UNL     1       5.807  -0.506   0.746  1.00  0.00           N  
HETATM   29  H   UNL     1      -2.581   4.106   1.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.936   3.714  -0.590  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.534   4.483  -0.433  1.00  0.00           H  
HETATM   32  H   UNL     1       0.468  -1.339  -1.169  1.00  0.00           H  
HETATM   33  H   UNL     1       0.645  -1.324   0.602  1.00  0.00           H  
HETATM   34  H   UNL     1       0.817   1.115  -1.226  1.00  0.00           H  
HETATM   35  H   UNL     1       0.994   1.131   0.545  1.00  0.00           H  
HETATM   36  H   UNL     1       2.788   1.116  -3.376  1.00  0.00           H  
HETATM   37  H   UNL     1       3.236  -0.581  -3.672  1.00  0.00           H  
HETATM   38  H   UNL     1       1.642  -0.188  -2.983  1.00  0.00           H  
HETATM   39  H   UNL     1       6.961  -0.167  -1.009  1.00  0.00           H  
HETATM   40  H   UNL     1       6.953  -1.860  -0.430  1.00  0.00           H  
HETATM   41  H   UNL     1       8.556  -1.433   1.222  1.00  0.00           H  
HETATM   42  H   UNL     1       8.997  -0.075   0.143  1.00  0.00           H  
HETATM   43  H   UNL     1       7.825   0.063   2.807  1.00  0.00           H  
HETATM   44  H   UNL     1       8.265   1.422   1.729  1.00  0.00           H  
HETATM   45  H   UNL     1       5.644   0.814   2.406  1.00  0.00           H  
HETATM   46  H   UNL     1       6.098   1.599   0.863  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.760  -2.464  -0.042  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.016  -0.956   0.371  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.706  -3.574  -0.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.528  -3.559   1.340  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.732  -2.507   0.557  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.262   3.442  -0.670  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.716   2.804   0.928  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.498   4.095   0.799  1.00  0.00           H  
CONECT    1   21   22   22    2                                       
CONECT    2    1   29   30   31                                       
CONECT    3   14    4   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4   25   27   27                                       
CONECT    6   26   26   27   28                                       
CONECT    7   25   36   37   38                                       
CONECT    8   28    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   28   10   45   46                                       
CONECT   12   20   13   13   16                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   15   15    3                                       
CONECT   15   14   14   21                                            
CONECT   16   12   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   48                                            
CONECT   19   18   49   50   51                                       
CONECT   20   12   21   23   23                                       
CONECT   21   15   20    1                                            
CONECT   22    1    1   23   24                                       
CONECT   23   20   20   22                                            
CONECT   24   22   52   53   54                                       
CONECT   25    5   26    7                                            
CONECT   26   25    6    6                                            
CONECT   27    5    5    6                                            
CONECT   28    6    8   11                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
