COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.897   3.537   0.106  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.173   3.334   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.710   1.928   0.394  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.474   1.750   1.681  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.823  -3.103   0.556  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.920  -2.576  -0.527  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.488  -3.239  -1.548  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.402  -1.176  -0.733  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.807  -0.655   0.576  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.282   0.767   0.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.696   1.281   1.658  1.00  0.00           C  
HETATM   12  C   UNL     1       0.006   2.377  -0.227  1.00  0.00           C  
HETATM   13  C   UNL     1       0.774   2.685  -1.487  1.00  0.00           C  
HETATM   14  C   UNL     1       2.080   2.588  -1.497  1.00  0.00           C  
HETATM   15  C   UNL     1       2.802   2.003  -0.311  1.00  0.00           C  
HETATM   16  C   UNL     1       3.720   0.872  -0.780  1.00  0.00           C  
HETATM   17  O   UNL     1       4.745   1.408  -1.619  1.00  0.00           O  
HETATM   18  C   UNL     1       4.358   0.196   0.436  1.00  0.00           C  
HETATM   19  C   UNL     1       5.370  -0.850  -0.035  1.00  0.00           C  
HETATM   20  C   UNL     1       5.908  -1.600   1.156  1.00  0.00           C  
HETATM   21  C   UNL     1       5.856  -2.909   1.183  1.00  0.00           C  
HETATM   22  C   UNL     1       5.412  -3.672  -0.038  1.00  0.00           C  
HETATM   23  C   UNL     1       6.454  -4.739  -0.380  1.00  0.00           C  
HETATM   24  O   UNL     1       5.024   1.178   1.232  1.00  0.00           O  
HETATM   25  H   UNL     1      -0.492   4.537   0.166  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.841   4.174   0.442  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.375   1.747  -0.450  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.013   2.008   2.623  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.805  -4.134  -1.367  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.631  -1.184  -1.504  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.221  -0.528  -1.044  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.578  -0.647   1.347  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.988  -1.303   0.888  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.511   0.760  -0.403  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.286   1.263   2.563  1.00  0.00           H  
HETATM   36  H   UNL     1       0.704   2.212   0.593  1.00  0.00           H  
HETATM   37  H   UNL     1       0.247   2.985  -2.381  1.00  0.00           H  
HETATM   38  H   UNL     1       2.640   2.928  -2.356  1.00  0.00           H  
HETATM   39  H   UNL     1       3.397   2.778   0.171  1.00  0.00           H  
HETATM   40  H   UNL     1       3.138   0.140  -1.339  1.00  0.00           H  
HETATM   41  H   UNL     1       5.303   2.068  -1.186  1.00  0.00           H  
HETATM   42  H   UNL     1       3.583  -0.289   1.030  1.00  0.00           H  
HETATM   43  H   UNL     1       4.881  -1.549  -0.714  1.00  0.00           H  
HETATM   44  H   UNL     1       6.191  -0.354  -0.553  1.00  0.00           H  
HETATM   45  H   UNL     1       6.336  -1.059   1.987  1.00  0.00           H  
HETATM   46  H   UNL     1       6.132  -3.442   2.082  1.00  0.00           H  
HETATM   47  H   UNL     1       4.453  -4.150   0.161  1.00  0.00           H  
HETATM   48  H   UNL     1       5.308  -2.984  -0.878  1.00  0.00           H  
HETATM   49  H   UNL     1       7.413  -4.261  -0.578  1.00  0.00           H  
HETATM   50  H   UNL     1       6.558  -5.427   0.460  1.00  0.00           H  
HETATM   51  H   UNL     1       6.133  -5.291  -1.263  1.00  0.00           H  
HETATM   52  H   UNL     1       5.728   1.651   0.766  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.881   1.220   0.363  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.101   1.415   0.056  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.596   1.481  -0.378  1.00  0.00           H  
HETATM   56  H   UNL     1       2.075   1.609   0.399  1.00  0.00           H  
CONECT    1    2    2   12   25                                       
CONECT    2    3    1    1   26                                       
CONECT    3    4    2   27   53                                       
CONECT    4   11   11    3   28                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    7    8                                       
CONECT    7    6   29                                                 
CONECT    8    6    9   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   54                                       
CONECT   11   10    4    4   35                                       
CONECT   12    1   13   36   55                                       
CONECT   13   12   14   14   37                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   39   56                                       
CONECT   16   15   17   18   40                                       
CONECT   17   16   41                                                 
CONECT   18   16   19   24   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   22   20   20   46                                       
CONECT   22   21   23   47   48                                       
CONECT   23   22   49   50   51                                       
CONECT   24   18   52                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53    3                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   15                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
