COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.903  -4.035  -0.228  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.705  -3.850  -0.301  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.885  -4.869  -0.621  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.502  -6.161  -0.865  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.148  -2.505  -0.045  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.832  -2.333  -0.039  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.013  -1.434   0.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.506  -1.644   0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.482  -0.169   0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.368   0.995   0.665  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.765   1.311   1.964  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.590   2.394   2.189  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.026   3.170   1.130  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.638   2.866  -0.165  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.070   3.633  -1.202  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.921   4.736  -0.883  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.803   1.782  -0.404  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.420   1.481  -1.673  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.084  -0.024   0.426  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.505   1.213   0.660  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.283  -1.151   0.185  1.00  0.00           C  
HETATM   22  C   UNL     1       1.192  -1.015   0.181  1.00  0.00           C  
HETATM   23  C   UNL     1       1.983  -2.117   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1       3.363  -1.986   0.505  1.00  0.00           C  
HETATM   25  N   UNL     1       1.740   0.150  -0.139  1.00  0.00           N  
HETATM   26  C   UNL     1       3.050   0.318  -0.156  1.00  0.00           C  
HETATM   27  C   UNL     1       3.907  -0.747   0.169  1.00  0.00           C  
HETATM   28  C   UNL     1       3.637   1.634  -0.519  1.00  0.00           C  
HETATM   29  O   UNL     1       2.913   2.567  -0.803  1.00  0.00           O  
HETATM   30  C   UNL     1       5.102   1.804  -0.533  1.00  0.00           C  
HETATM   31  N   UNL     1       5.647   3.034  -0.873  1.00  0.00           N  
HETATM   32  C   UNL     1       5.923   0.771  -0.218  1.00  0.00           C  
HETATM   33  C   UNL     1       5.372  -0.544   0.146  1.00  0.00           C  
HETATM   34  O   UNL     1       6.118  -1.462   0.422  1.00  0.00           O  
HETATM   35  O   UNL     1       7.268   0.952  -0.237  1.00  0.00           O  
HETATM   36  C   UNL     1       7.949   0.896   1.018  1.00  0.00           C  
HETATM   37  H   UNL     1      -3.035  -6.483   0.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.203  -6.077  -1.695  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.731  -6.891  -1.112  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.831  -2.016   1.137  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.003  -0.697  -0.047  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.763  -2.370  -0.607  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.428   0.707   2.794  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.897   2.636   3.196  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.672   4.016   1.314  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.192   5.263  -1.798  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.824   4.369  -0.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.397   5.418  -0.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.604   1.918  -1.952  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.043   2.019   0.602  1.00  0.00           H  
HETATM   51  H   UNL     1       0.437   1.274   0.881  1.00  0.00           H  
HETATM   52  H   UNL     1       1.526  -3.061   0.764  1.00  0.00           H  
HETATM   53  H   UNL     1       4.000  -2.822   0.755  1.00  0.00           H  
HETATM   54  H   UNL     1       5.067   3.799  -1.013  1.00  0.00           H  
HETATM   55  H   UNL     1       6.607   3.129  -0.970  1.00  0.00           H  
HETATM   56  H   UNL     1       7.894  -0.116   1.416  1.00  0.00           H  
HETATM   57  H   UNL     1       8.994   1.175   0.877  1.00  0.00           H  
HETATM   58  H   UNL     1       7.479   1.588   1.717  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    3    2    4                                                 
CONECT    4    3   37   38   39                                       
CONECT    5    2    6    6    7                                       
CONECT    6    5    5   21                                            
CONECT    7    5    8    9    9                                       
CONECT    8    7   40   41   42                                       
CONECT    9    7    7   19   10                                       
CONECT   10   17    9   11   11                                       
CONECT   11   10   10   12   43                                       
CONECT   12   13   13   11   44                                       
CONECT   13   14   12   12   45                                       
CONECT   14   15   17   17   13                                       
CONECT   15   16   14                                                 
CONECT   16   15   46   47   48                                       
CONECT   17   18   14   14   10                                       
CONECT   18   17   49                                                 
CONECT   19   21   21    9   20                                       
CONECT   20   19   50   51                                            
CONECT   21    6   22   19   19                                       
CONECT   22   23   21   25   25                                       
CONECT   23   24   24   22   52                                       
CONECT   24   23   23   27   53                                       
CONECT   25   22   22   26                                            
CONECT   26   27   27   25   28                                       
CONECT   27   24   33   26   26                                       
CONECT   28   26   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   32   32   28   31                                       
CONECT   31   30   54   55                                            
CONECT   32   33   35   30   30                                       
CONECT   33   34   34   27   32                                       
CONECT   34   33   33                                                 
CONECT   35   32   36                                                 
CONECT   36   35   56   57   58                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
