COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.404   3.144   0.713  1.00  0.00           N  
HETATM    2  C   UNL     1       2.078   0.768  -0.305  1.00  0.00           C  
HETATM    3  C   UNL     1       2.764  -0.599  -0.283  1.00  0.00           C  
HETATM    4  C   UNL     1       4.230  -0.431  -0.588  1.00  0.00           C  
HETATM    5  C   UNL     1       5.130  -0.221   0.440  1.00  0.00           C  
HETATM    6  C   UNL     1       6.475  -0.066   0.161  1.00  0.00           C  
HETATM    7  C   UNL     1       6.920  -0.122  -1.147  1.00  0.00           C  
HETATM    8  C   UNL     1       6.020  -0.333  -2.175  1.00  0.00           C  
HETATM    9  C   UNL     1       4.676  -0.492  -1.895  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.276  -5.520   1.484  1.00  0.00           C  
HETATM   11  C   UNL     1       2.483   1.191   2.060  1.00  0.00           C  
HETATM   12  C   UNL     1       3.027   2.044   3.177  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.610  -1.924   0.318  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.340  -2.520  -0.449  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.890  -3.695  -0.080  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.566  -4.186   1.247  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.623  -1.962  -1.778  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.205  -0.737  -2.088  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.631   0.156  -1.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.223   1.561  -1.155  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.718   1.518  -0.829  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.478   2.609  -1.623  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.499   3.774  -0.609  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.962   1.878   0.620  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.781   1.135   1.561  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.175   0.224  -1.168  1.00  0.00           N  
HETATM   27  C   UNL     1       0.593   0.589  -0.122  1.00  0.00           C  
HETATM   28  O   UNL     1       0.089   0.772   0.966  1.00  0.00           O  
HETATM   29  N   UNL     1       2.607   1.597   0.781  1.00  0.00           N  
HETATM   30  O   UNL     1       1.934   0.140   2.312  1.00  0.00           O  
HETATM   31  H   UNL     1      -4.627   3.586   1.547  1.00  0.00           H  
HETATM   32  H   UNL     1       2.270   1.256  -1.261  1.00  0.00           H  
HETATM   33  H   UNL     1       2.647  -1.048   0.703  1.00  0.00           H  
HETATM   34  H   UNL     1       2.309  -1.246  -1.033  1.00  0.00           H  
HETATM   35  H   UNL     1       4.782  -0.177   1.462  1.00  0.00           H  
HETATM   36  H   UNL     1       7.178   0.099   0.964  1.00  0.00           H  
HETATM   37  H   UNL     1       7.971  -0.001  -1.365  1.00  0.00           H  
HETATM   38  H   UNL     1       6.368  -0.376  -3.196  1.00  0.00           H  
HETATM   39  H   UNL     1       3.973  -0.660  -2.698  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.033  -5.890   2.481  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.354  -5.378   1.403  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.948  -6.245   0.738  1.00  0.00           H  
HETATM   43  H   UNL     1       2.256   2.737   3.514  1.00  0.00           H  
HETATM   44  H   UNL     1       3.329   1.406   4.008  1.00  0.00           H  
HETATM   45  H   UNL     1       3.889   2.606   2.819  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.894  -3.462   1.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.488  -4.329   1.329  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.171  -2.545  -2.503  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.276  -0.383  -3.106  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.877  -0.248  -0.037  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.720   2.236  -0.464  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.085   1.916  -2.176  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.127   0.532  -1.048  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.932   2.886  -2.526  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.489   2.282  -1.866  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.432   4.332  -0.695  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.648   4.435  -0.775  1.00  0.00           H  
HETATM   58  H   UNL     1       0.236   0.006  -2.019  1.00  0.00           H  
HETATM   59  H   UNL     1       3.046   2.438   0.580  1.00  0.00           H  
CONECT    1   24   23   31                                            
CONECT    2   27    3   29   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    6    6    8   37                                       
CONECT    8    9    9    7   38                                       
CONECT    9    4    8    8   39                                       
CONECT   10   16   40   41   42                                       
CONECT   11   30   30   29   12                                       
CONECT   12   11   43   44   45                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   15   17                                       
CONECT   15   14   16                                                 
CONECT   16   15   10   46   47                                       
CONECT   17   14   18   18   48                                       
CONECT   18   17   17   19   49                                       
CONECT   19   18   20   26   50                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   24   22   53                                       
CONECT   22   21   23   54   55                                       
CONECT   23    1   22   56   57                                       
CONECT   24   25   25   21    1                                       
CONECT   25   24   24                                                 
CONECT   26   19   27   58                                            
CONECT   27   26   28   28    2                                       
CONECT   28   27   27                                                 
CONECT   29    2   11   59                                            
CONECT   30   11   11                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
