COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.689  14.672   3.863  1.00  0.00           O1-
HETATM    2  N   UNL     1       1.442  13.510   3.461  1.00  0.00           N1+
HETATM    3  O   UNL     1       0.274  13.127   3.209  1.00  0.00           O  
HETATM    4  C   UNL     1       2.518  12.600   3.283  1.00  0.00           C  
HETATM    5  C   UNL     1       3.825  13.005   3.556  1.00  0.00           C  
HETATM    6  C   UNL     1       4.882  12.113   3.382  1.00  0.00           C  
HETATM    7  C   UNL     1       4.633  10.815   2.935  1.00  0.00           C  
HETATM    8  C   UNL     1       2.269  11.303   2.836  1.00  0.00           C  
HETATM    9  C   UNL     1       3.330  10.428   2.668  1.00  0.00           C  
HETATM   10  C   UNL     1       3.068   9.057   2.196  1.00  0.00           C  
HETATM   11  O   UNL     1       3.807   8.127   2.510  1.00  0.00           O  
HETATM   12  N   UNL     1       1.900   8.889   1.400  1.00  0.00           N  
HETATM   13  C   UNL     1       1.382   7.742   0.851  1.00  0.00           C  
HETATM   14  N   UNL     1       1.878   6.530   0.957  1.00  0.00           N  
HETATM   15  C   UNL     1       1.016   5.727   0.246  1.00  0.00           C  
HETATM   16  C   UNL     1       1.052   4.341   0.018  1.00  0.00           C  
HETATM   17  C   UNL     1       0.035   3.733  -0.758  1.00  0.00           C  
HETATM   18  O   UNL     1       0.052   2.420  -0.985  1.00  0.00           O  
HETATM   19  C   UNL     1       0.732   2.050  -2.110  1.00  0.00           C  
HETATM   20  O   UNL     1       1.311   2.802  -2.886  1.00  0.00           O  
HETATM   21  C   UNL     1       0.686   0.525  -2.273  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.773   0.067  -2.392  1.00  0.00           C  
HETATM   23  C   UNL     1       1.480   0.118  -3.522  1.00  0.00           C  
HETATM   24  C   UNL     1       1.320  -0.143  -1.041  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.994   4.543  -1.286  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.023   6.477  -0.299  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.046   5.924  -1.069  1.00  0.00           C  
HETATM   28  N   UNL     1       0.237   7.762   0.105  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.565   8.924  -0.209  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.149   9.629  -1.500  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.037  10.816  -1.853  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.552  11.408  -3.051  1.00  0.00           O  
HETATM   33  H   UNL     1       4.033  14.014   3.904  1.00  0.00           H  
HETATM   34  H   UNL     1       5.900  12.428   3.594  1.00  0.00           H  
HETATM   35  H   UNL     1       5.465  10.128   2.802  1.00  0.00           H  
HETATM   36  H   UNL     1       1.250  10.985   2.623  1.00  0.00           H  
HETATM   37  H   UNL     1       1.364   9.755   1.207  1.00  0.00           H  
HETATM   38  H   UNL     1       1.850   3.732   0.431  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.362   0.402  -1.530  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.253   0.474  -3.290  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.844  -1.025  -2.447  1.00  0.00           H  
HETATM   42  H   UNL     1       1.031   0.523  -4.436  1.00  0.00           H  
HETATM   43  H   UNL     1       1.519  -0.972  -3.629  1.00  0.00           H  
HETATM   44  H   UNL     1       2.509   0.491  -3.473  1.00  0.00           H  
HETATM   45  H   UNL     1       0.785   0.127  -0.123  1.00  0.00           H  
HETATM   46  H   UNL     1       1.303  -1.235  -1.128  1.00  0.00           H  
HETATM   47  H   UNL     1       2.364   0.166  -0.915  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.774   4.074  -1.881  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.846   6.528  -1.483  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.524   9.613   0.642  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.603   8.580  -0.290  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.182   8.907  -2.325  1.00  0.00           H  
HETATM   53  H   UNL     1       0.895   9.963  -1.442  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.019  11.575  -1.066  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.070  10.495  -2.019  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.147  12.147  -3.259  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    8    5    5                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    9   35                                       
CONECT    8    4    9    9   36                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   37                                            
CONECT   13   12   28   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   26                                       
CONECT   16   15   15   17   38                                       
CONECT   17   16   18   25   25                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   23   24   22                                       
CONECT   22   21   39   40   41                                       
CONECT   23   21   42   43   44                                       
CONECT   24   21   45   46   47                                       
CONECT   25   17   17   27   48                                       
CONECT   26   15   27   27   28                                       
CONECT   27   25   26   26   49                                       
CONECT   28   13   26   29                                            
CONECT   29   28   30   50   51                                       
CONECT   30   29   31   52   53                                       
CONECT   31   30   32   54   55                                       
CONECT   32   31   56                                                 
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
