COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.719  -0.785   0.765  1.00  0.00           C  
HETATM    2  N   UNL     1       1.715  -1.145   0.474  1.00  0.00           N  
HETATM    3  C   UNL     1       2.831  -0.808  -0.421  1.00  0.00           C  
HETATM    4  C   UNL     1       4.954   0.538  -0.184  1.00  0.00           C  
HETATM    5  C   UNL     1       5.794   1.776  -2.050  1.00  0.00           C  
HETATM    6  C   UNL     1       6.042   0.995   0.600  1.00  0.00           C  
HETATM    7  C   UNL     1       6.147   0.584   1.940  1.00  0.00           C  
HETATM    8  C   UNL     1       5.205  -0.247   2.465  1.00  0.00           C  
HETATM    9  C   UNL     1       3.247  -2.052  -1.208  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.500  -2.316  -0.907  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.971  -0.263  -1.147  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.577   1.171   0.231  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.410   1.700  -0.563  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.205   0.826  -0.327  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.335   1.115   0.708  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.230   0.317   0.927  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.992  -0.778   0.105  1.00  0.00           C  
HETATM   18  C   UNL     1       0.429  -1.053  -0.230  1.00  0.00           C  
HETATM   19  C   UNL     1       3.998  -0.315   0.394  1.00  0.00           C  
HETATM   20  C   UNL     1       4.850   0.949  -1.524  1.00  0.00           C  
HETATM   21  C   UNL     1       6.860   2.231  -1.277  1.00  0.00           C  
HETATM   22  C   UNL     1       6.995   1.853   0.023  1.00  0.00           C  
HETATM   23  C   UNL     1       4.135  -0.697   1.693  1.00  0.00           C  
HETATM   24  C   UNL     1       0.044  -2.423  -0.849  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.871  -1.069  -0.930  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.875  -1.588   0.324  1.00  0.00           N  
HETATM   27  O   UNL     1      -7.443   0.185   0.918  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.764   1.794   0.176  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.419  -1.088   1.768  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.979   0.273   0.759  1.00  0.00           H  
HETATM   31  H   UNL     1       1.841  -2.060   0.879  1.00  0.00           H  
HETATM   32  H   UNL     1       2.517  -0.028  -1.115  1.00  0.00           H  
HETATM   33  H   UNL     1       5.711   2.090  -3.080  1.00  0.00           H  
HETATM   34  H   UNL     1       6.970   0.924   2.550  1.00  0.00           H  
HETATM   35  H   UNL     1       5.288  -0.562   3.494  1.00  0.00           H  
HETATM   36  H   UNL     1       2.403  -2.409  -1.798  1.00  0.00           H  
HETATM   37  H   UNL     1       4.075  -1.802  -1.872  1.00  0.00           H  
HETATM   38  H   UNL     1       3.561  -2.832  -0.514  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.809  -1.755  -1.789  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.949  -3.309  -0.914  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.653  -0.486  -1.954  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.661   1.695  -1.624  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.188   2.719  -0.247  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.520   1.967   1.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.550   0.544   1.735  1.00  0.00           H  
HETATM   46  H   UNL     1       0.465  -0.278  -0.996  1.00  0.00           H  
HETATM   47  H   UNL     1       4.024   0.611  -2.133  1.00  0.00           H  
HETATM   48  H   UNL     1       7.597   2.886  -1.719  1.00  0.00           H  
HETATM   49  H   UNL     1       7.826   2.213   0.611  1.00  0.00           H  
HETATM   50  H   UNL     1       3.401  -1.356   2.134  1.00  0.00           H  
HETATM   51  H   UNL     1       0.355  -3.244  -0.203  1.00  0.00           H  
HETATM   52  H   UNL     1       0.466  -2.532  -1.848  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.690  -1.919  -1.570  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.483   1.418   0.702  1.00  0.00           H  
CONECT    1   18   26   29   30                                       
CONECT    2    3   18   31                                            
CONECT    3   19    9    2   32                                       
CONECT    4    6    6   20   19                                       
CONECT    5   21   20   20   33                                       
CONECT    6   22    7    4    4                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7   23   35                                       
CONECT    9    3   36   37   38                                       
CONECT   10   26   24   39   40                                       
CONECT   11   25   14   14   41                                       
CONECT   12   27   27   28   13                                       
CONECT   13   14   12   42   43                                       
CONECT   14   11   11   15   13                                       
CONECT   15   16   16   14   44                                       
CONECT   16   17   15   15   45                                       
CONECT   17   26   25   25   16                                       
CONECT   18    2    1   24   46                                       
CONECT   19    4   23   23    3                                       
CONECT   20    5    5    4   47                                       
CONECT   21   22   22    5   48                                       
CONECT   22   21   21    6   49                                       
CONECT   23    8   19   19   50                                       
CONECT   24   18   10   51   52                                       
CONECT   25   17   17   11   53                                       
CONECT   26    1   10   17                                            
CONECT   27   12   12                                                 
CONECT   28   12   54                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
