COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.239   0.112  -0.056  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.662   0.506   0.345  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.951  -1.004  -0.701  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.998   0.005  -0.054  1.00  0.00           C  
HETATM    5  C   UNL     1       1.068   0.471  -0.424  1.00  0.00           C  
HETATM    6  C   UNL     1       1.941   1.399   0.113  1.00  0.00           C  
HETATM    7  C   UNL     1       1.459   2.473   0.879  1.00  0.00           C  
HETATM    8  C   UNL     1       0.128   2.625   1.110  1.00  0.00           C  
HETATM    9  C   UNL     1       3.400   1.259  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1       4.030   0.042   0.117  1.00  0.00           C  
HETATM   11  C   UNL     1       5.400  -0.082  -0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       6.131   1.015  -0.567  1.00  0.00           C  
HETATM   13  C   UNL     1       6.078  -1.372   0.144  1.00  0.00           C  
HETATM   14  C   UNL     1       8.075  -2.768   0.176  1.00  0.00           C  
HETATM   15  C   UNL     1       9.367  -3.049  -0.594  1.00  0.00           C  
HETATM   16  C   UNL     1       9.421  -2.729   0.902  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.521  -0.105  -0.463  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.245  -0.302  -0.717  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.614  -0.464  -0.214  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.438  -1.788   0.400  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.407  -2.779  -0.251  1.00  0.00           C  
HETATM   22  O   UNL     1      -9.744  -2.291  -0.113  1.00  0.00           O  
HETATM   23  C   UNL     1       5.499   2.220  -0.800  1.00  0.00           C  
HETATM   24  C   UNL     1       4.140   2.346  -0.586  1.00  0.00           C  
HETATM   25  C   UNL     1       3.457   3.663  -0.850  1.00  0.00           C  
HETATM   26  O   UNL     1       5.440  -2.326   0.545  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.307   0.611  -0.197  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.784   1.700   0.579  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.103   1.814   0.783  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.934   0.928   0.270  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.289   1.078   0.501  1.00  0.00           N  
HETATM   32  N   UNL     1       7.403  -1.490  -0.072  1.00  0.00           N  
HETATM   33  H   UNL     1       1.442  -0.351  -1.016  1.00  0.00           H  
HETATM   34  H   UNL     1       2.156   3.188   1.291  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.227   3.455   1.702  1.00  0.00           H  
HETATM   36  H   UNL     1       3.460  -0.803   0.473  1.00  0.00           H  
HETATM   37  H   UNL     1       7.193   0.921  -0.740  1.00  0.00           H  
HETATM   38  H   UNL     1       6.068   3.066  -1.156  1.00  0.00           H  
HETATM   39  H   UNL     1       7.417  -3.613   0.381  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.924  -1.144  -1.313  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.611   1.824   1.031  1.00  0.00           H  
HETATM   42  H   UNL     1       7.912  -0.729  -0.392  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.014  -0.882   0.331  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.156   0.106  -1.143  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.745   0.512   1.431  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.886   1.499  -0.043  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.414  -2.127   0.248  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.647  -1.724   1.468  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.164  -2.883  -1.309  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.321  -3.748   0.240  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.981  -0.689  -0.535  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.753  -1.056  -1.772  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.112   0.975  -0.538  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.231   0.097   1.007  1.00  0.00           H  
HETATM   55  H   UNL     1       9.559  -4.078  -0.896  1.00  0.00           H  
HETATM   56  H   UNL     1       9.717  -2.282  -1.285  1.00  0.00           H  
HETATM   57  H   UNL     1       9.807  -1.753   1.194  1.00  0.00           H  
HETATM   58  H   UNL     1       9.650  -3.549   1.583  1.00  0.00           H  
HETATM   59  H   UNL     1       3.476   4.270   0.056  1.00  0.00           H  
HETATM   60  H   UNL     1       3.977   4.188  -1.650  1.00  0.00           H  
HETATM   61  H   UNL     1       2.423   3.483  -1.145  1.00  0.00           H  
CONECT    1    2   31   43   44                                       
CONECT    2    1   19   45   46                                       
CONECT    3    4   22   51   52                                       
CONECT    4    3   19   53   54                                       
CONECT    5    6    6   27   33                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7   28   35                                       
CONECT    9    6   10   10   24                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   23   37                                       
CONECT   13   11   26   26   32                                       
CONECT   14   15   16   32   39                                       
CONECT   15   14   16   55   56                                       
CONECT   16   14   15   57   58                                       
CONECT   17   18   18   30                                            
CONECT   18   17   17   27   40                                       
CONECT   19    2    4   20                                            
CONECT   20   19   21   47   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22    3   21                                                 
CONECT   23   12   24   24   38                                       
CONECT   24    9   23   23   25                                       
CONECT   25   24   59   60   61                                       
CONECT   26   13   13                                                 
CONECT   27    5   18   28   28                                       
CONECT   28    8   27   27   29                                       
CONECT   29   28   30   30                                            
CONECT   30   17   29   29   31                                       
CONECT   31    1   30   41                                            
CONECT   32   13   14   42                                            
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   23                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   31                                                      
CONECT   42   32                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
