COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.959   0.108   0.904  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.005  -1.369   0.444  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.134  -1.227  -1.094  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.305  -0.083  -1.397  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.527   0.883  -0.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.254   1.641  -0.081  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.252   0.538   1.336  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.143  -2.038   0.991  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.208   1.466  -0.850  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.935   2.224  -0.574  1.00  0.00           C  
HETATM   11  N   UNL     1       0.175   1.278  -0.435  1.00  0.00           N  
HETATM   12  C   UNL     1       1.419   1.732  -0.183  1.00  0.00           C  
HETATM   13  C   UNL     1       2.538   0.780  -0.042  1.00  0.00           C  
HETATM   14  C   UNL     1       3.831   1.247   0.219  1.00  0.00           C  
HETATM   15  C   UNL     1       4.878   0.339   0.349  1.00  0.00           C  
HETATM   16  C   UNL     1       4.637  -1.018   0.221  1.00  0.00           C  
HETATM   17  C   UNL     1       3.357  -1.480  -0.037  1.00  0.00           C  
HETATM   18  C   UNL     1       2.310  -0.595  -0.163  1.00  0.00           C  
HETATM   19  N   UNL     1       3.113  -2.934  -0.172  1.00  0.00           N1+
HETATM   20  O   UNL     1       4.063   2.579   0.343  1.00  0.00           O  
HETATM   21  O   UNL     1       6.137   0.786   0.603  1.00  0.00           O  
HETATM   22  O   UNL     1       1.620   2.926  -0.072  1.00  0.00           O  
HETATM   23  O   UNL     1       4.036  -3.720  -0.056  1.00  0.00           O  
HETATM   24  O   UNL     1       1.988  -3.344  -0.399  1.00  0.00           O1-
HETATM   25  H   UNL     1      -4.227   0.237   1.701  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.084  -1.888   0.711  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.756  -2.118  -1.595  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.169  -1.036  -1.377  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.315   1.575  -0.655  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.204   2.328   0.751  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.598   0.043   2.092  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.215  -2.967   0.732  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.258   0.779  -1.682  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.731   2.904  -1.401  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.044   2.794   0.348  1.00  0.00           H  
HETATM   36  H   UNL     1       0.015   0.325  -0.523  1.00  0.00           H  
HETATM   37  H   UNL     1       5.452  -1.720   0.323  1.00  0.00           H  
HETATM   38  H   UNL     1       1.313  -0.961  -0.360  1.00  0.00           H  
HETATM   39  H   UNL     1       3.974   2.910   1.247  1.00  0.00           H  
HETATM   40  H   UNL     1       6.346   0.861   1.544  1.00  0.00           H  
CONECT    1    2    5    7   25                                       
CONECT    2    1    3    8   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    6   29                                       
CONECT    6    5    9    9   30                                       
CONECT    7    1   31                                                 
CONECT    8    2   32                                                 
CONECT    9    6    6   10   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   36                                            
CONECT   12   11   13   22   22                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   20                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   19                                       
CONECT   18   13   17   17   38                                       
CONECT   19   17   23   23   24                                       
CONECT   20   14   39                                                 
CONECT   21   15   40                                                 
CONECT   22   12   12                                                 
CONECT   23   19   19                                                 
CONECT   24   19                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
