COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.779  -0.391   0.744  1.00  0.00           C  
HETATM    2  C   UNL     1       4.304   2.146  -0.572  1.00  0.00           C  
HETATM    3  C   UNL     1       8.293  -0.028   1.072  1.00  0.00           C  
HETATM    4  C   UNL     1       9.519  -1.673  -0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.957   0.650  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.992  -0.119   0.031  1.00  0.00           C  
HETATM    7  C   UNL     1       8.430  -1.863  -0.990  1.00  0.00           C  
HETATM    8  C   UNL     1       7.273  -1.132  -0.792  1.00  0.00           C  
HETATM    9  C   UNL     1       9.451  -0.755   0.870  1.00  0.00           C  
HETATM   10  C   UNL     1       5.621   1.395  -0.783  1.00  0.00           C  
HETATM   11  C   UNL     1       7.203  -0.218   0.243  1.00  0.00           C  
HETATM   12  C   UNL     1       5.939   0.570   0.468  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.590  -2.698  -0.179  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.674  -1.331  -0.136  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.579  -0.594  -0.158  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.653   0.739  -0.120  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.492   1.483  -0.150  1.00  0.00           N  
HETATM   18  C   UNL     1       0.808   0.811  -0.220  1.00  0.00           C  
HETATM   19  C   UNL     1       1.923   1.857  -0.241  1.00  0.00           C  
HETATM   20  N   UNL     1       3.227   1.183  -0.312  1.00  0.00           N  
HETATM   21  C   UNL     1       3.487   0.412   0.911  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.820   1.359  -0.057  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.235   0.986   0.033  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.212  -1.182  -0.030  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.892  -0.718  -0.069  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.468  -0.145   0.090  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.283   0.941   0.154  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.605   0.455   0.193  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.532  -0.890   0.151  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.240  -1.249   0.084  1.00  0.00           O  
HETATM   31  H   UNL     1       4.673  -1.082  -0.092  1.00  0.00           H  
HETATM   32  H   UNL     1       4.980  -0.951   1.657  1.00  0.00           H  
HETATM   33  H   UNL     1       4.403   2.819   0.280  1.00  0.00           H  
HETATM   34  H   UNL     1       4.068   2.723  -1.466  1.00  0.00           H  
HETATM   35  H   UNL     1       8.238   0.686   1.881  1.00  0.00           H  
HETATM   36  H   UNL     1      10.422  -2.244  -0.317  1.00  0.00           H  
HETATM   37  H   UNL     1       8.482  -2.583  -1.794  1.00  0.00           H  
HETATM   38  H   UNL     1       6.422  -1.281  -1.439  1.00  0.00           H  
HETATM   39  H   UNL     1      10.302  -0.606   1.518  1.00  0.00           H  
HETATM   40  H   UNL     1       5.528   0.732  -1.642  1.00  0.00           H  
HETATM   41  H   UNL     1       6.424   2.111  -0.961  1.00  0.00           H  
HETATM   42  H   UNL     1       6.071   1.236   1.321  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.397  -3.235  -0.163  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.722  -3.129  -0.226  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.536   2.452  -0.125  1.00  0.00           H  
HETATM   46  H   UNL     1       0.931   0.166   0.650  1.00  0.00           H  
HETATM   47  H   UNL     1       0.857   0.209  -1.128  1.00  0.00           H  
HETATM   48  H   UNL     1       1.801   2.502  -1.112  1.00  0.00           H  
HETATM   49  H   UNL     1       1.874   2.459   0.666  1.00  0.00           H  
HETATM   50  H   UNL     1       2.656  -0.271   1.093  1.00  0.00           H  
HETATM   51  H   UNL     1       3.589   1.093   1.755  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.976   1.977   0.172  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.506   1.048   0.246  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.374  -1.566   0.165  1.00  0.00           H  
CONECT    1   21   12   31   32                                       
CONECT    2   20   10   33   34                                       
CONECT    3    9    9   11   35                                       
CONECT    4    9    7    7   36                                       
CONECT    5   22   23   23   25                                       
CONECT    6   23   24   24   26                                       
CONECT    7    4    4    8   37                                       
CONECT    8   11   11    7   38                                       
CONECT    9    3    3    4   39                                       
CONECT   10   12    2   40   41                                       
CONECT   11    3   12    8    8                                       
CONECT   12    1   11   10   42                                       
CONECT   13   14   43   44                                            
CONECT   14   15   15   25   13                                       
CONECT   15   16   14   14                                            
CONECT   16   17   22   22   15                                       
CONECT   17   18   16   45                                            
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   48   49                                       
CONECT   20   21   19    2                                            
CONECT   21    1   20   50   51                                       
CONECT   22   16   16    5                                            
CONECT   23    5    5    6                                            
CONECT   24   25    6    6                                            
CONECT   25    5   14   24                                            
CONECT   26    6   27   27   30                                       
CONECT   27   26   26   28   52                                       
CONECT   28   27   29   29   53                                       
CONECT   29   30   28   28   54                                       
CONECT   30   26   29                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
