COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.393  -4.145  -0.206  1.00  0.00           O  
HETATM    2  O   UNL     1      -0.451  -4.406  -1.253  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.258  -3.654  -0.743  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.996  -2.204  -0.711  1.00  0.00           C  
HETATM    5  C   UNL     1       0.128  -1.753  -1.248  1.00  0.00           C  
HETATM    6  C   UNL     1       0.477  -0.290  -1.271  1.00  0.00           C  
HETATM    7  N   UNL     1       1.893  -0.120  -0.933  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.385   0.457  -0.248  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.283   1.900  -0.475  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.841   0.005  -0.426  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.919  -1.393  -0.140  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.743   0.781   0.536  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.260   0.625   1.872  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.171   0.241   0.444  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.654   0.398  -0.892  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.073   1.017   1.406  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.380   0.438   1.406  1.00  0.00           O  
HETATM   18  C   UNL     1       2.594  -0.873  -0.054  1.00  0.00           C  
HETATM   19  N   UNL     1       2.685   0.767  -1.426  1.00  0.00           N  
HETATM   20  C   UNL     1       3.852  -0.374  -0.050  1.00  0.00           C  
HETATM   21  N   UNL     1       3.860   0.644  -0.918  1.00  0.00           N  
HETATM   22  C   UNL     1       5.016  -0.869   0.769  1.00  0.00           C  
HETATM   23  O   UNL     1       4.597  -1.977   1.570  1.00  0.00           O  
HETATM   24  C   UNL     1       5.632  -2.524   2.390  1.00  0.00           C  
HETATM   25  C   UNL     1       0.733   2.598   0.069  1.00  0.00           C  
HETATM   26  O   UNL     1       1.564   2.031   0.747  1.00  0.00           O  
HETATM   27  C   UNL     1       0.838   4.083  -0.165  1.00  0.00           C  
HETATM   28  C   UNL     1       2.072   4.628   0.558  1.00  0.00           C  
HETATM   29  C   UNL     1       0.965   4.355  -1.665  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.520  -5.103  -0.250  1.00  0.00           H  
HETATM   31  H   UNL     1       0.818  -2.461  -1.683  1.00  0.00           H  
HETATM   32  H   UNL     1       0.290   0.113  -2.266  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.047   0.219   0.761  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.947   2.354  -1.018  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.158   0.185  -1.453  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.736   1.838   0.269  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.239  -0.292   2.178  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.179  -0.815   0.711  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.675   1.315  -1.198  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.656   0.971   2.412  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.137   2.057   1.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.006   0.880   1.995  1.00  0.00           H  
HETATM   43  H   UNL     1       2.224  -1.704   0.528  1.00  0.00           H  
HETATM   44  H   UNL     1       5.820  -1.185   0.105  1.00  0.00           H  
HETATM   45  H   UNL     1       5.373  -0.068   1.416  1.00  0.00           H  
HETATM   46  H   UNL     1       6.449  -2.875   1.759  1.00  0.00           H  
HETATM   47  H   UNL     1       6.002  -1.757   3.070  1.00  0.00           H  
HETATM   48  H   UNL     1       5.234  -3.360   2.966  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.055   4.576   0.220  1.00  0.00           H  
HETATM   50  H   UNL     1       2.965   4.135   0.174  1.00  0.00           H  
HETATM   51  H   UNL     1       2.148   5.702   0.389  1.00  0.00           H  
HETATM   52  H   UNL     1       1.982   4.434   1.627  1.00  0.00           H  
HETATM   53  H   UNL     1       1.041   5.430  -1.834  1.00  0.00           H  
HETATM   54  H   UNL     1       1.858   3.863  -2.050  1.00  0.00           H  
HETATM   55  H   UNL     1       0.086   3.967  -2.180  1.00  0.00           H  
CONECT    1    3   30                                                 
CONECT    2    3    3                                                 
CONECT    3    4    2    2    1                                       
CONECT    4   11    5    5    3                                       
CONECT    5    6    4    4   31                                       
CONECT    6    8    7    5   32                                       
CONECT    7    6   18   19                                            
CONECT    8    9   10    6   33                                       
CONECT    9   25    8   34                                            
CONECT   10   12    8   11   35                                       
CONECT   11   10    4                                                 
CONECT   12   13   14   10   36                                       
CONECT   13   12   37                                                 
CONECT   14   16   12   15   38                                       
CONECT   15   14   39                                                 
CONECT   16   17   14   40   41                                       
CONECT   17   16   42                                                 
CONECT   18    7   20   20   43                                       
CONECT   19    7   21   21                                            
CONECT   20   18   18   21   22                                       
CONECT   21   19   19   20                                            
CONECT   22   20   23   44   45                                       
CONECT   23   22   24                                                 
CONECT   24   23   46   47   48                                       
CONECT   25   27   26   26    9                                       
CONECT   26   25   25                                                 
CONECT   27   29   28   25   49                                       
CONECT   28   27   50   51   52                                       
CONECT   29   27   53   54   55                                       
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
