COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.021   1.396   3.095  1.00  0.00           C  
HETATM    2  C   UNL     1       6.954   2.274   0.945  1.00  0.00           C  
HETATM    3  C   UNL     1       6.127   1.375   1.592  1.00  0.00           C  
HETATM    4  C   UNL     1       5.398   0.456   0.862  1.00  0.00           C  
HETATM    5  C   UNL     1       5.496   0.438  -0.523  1.00  0.00           C  
HETATM    6  C   UNL     1       7.951   3.245  -1.135  1.00  0.00           C  
HETATM    7  C   UNL     1       1.470  -2.209  -0.902  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.557  -2.588   1.159  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.305  -2.206   0.368  1.00  0.00           C  
HETATM   10  C   UNL     1       1.368  -3.143   0.113  1.00  0.00           C  
HETATM   11  C   UNL     1       0.150  -3.369   0.725  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.199   3.501  -1.112  1.00  0.00           O  
HETATM   13  C   UNL     1       7.054   2.259  -0.434  1.00  0.00           C  
HETATM   14  C   UNL     1       6.327   1.343  -1.170  1.00  0.00           C  
HETATM   15  N   UNL     1       4.759  -0.492  -1.266  1.00  0.00           N  
HETATM   16  C   UNL     1       3.540  -0.878  -0.842  1.00  0.00           C  
HETATM   17  O   UNL     1       3.038  -0.347   0.126  1.00  0.00           O  
HETATM   18  C   UNL     1       2.799  -1.969  -1.571  1.00  0.00           C  
HETATM   19  C   UNL     1       0.355  -1.499  -1.307  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.865  -1.721  -0.698  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.971  -2.658   0.320  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.170  -2.878   0.920  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.480  -2.618  -1.095  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.094  -0.716   0.449  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.077  -0.275   0.929  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.036   0.121  -0.013  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.766   1.543   0.097  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.945   2.332  -0.477  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.106   2.105   0.325  1.00  0.00           O  
HETATM   30  N   UNL     1      -7.259   2.793  -0.123  1.00  0.00           N1+
HETATM   31  O   UNL     1      -8.311   2.677   0.481  1.00  0.00           O1-
HETATM   32  H   UNL     1       5.218   2.070   3.393  1.00  0.00           H  
HETATM   33  H   UNL     1       5.806   0.391   3.458  1.00  0.00           H  
HETATM   34  H   UNL     1       6.963   1.742   3.521  1.00  0.00           H  
HETATM   35  H   UNL     1       7.519   2.994   1.518  1.00  0.00           H  
HETATM   36  H   UNL     1       4.753  -0.247   1.368  1.00  0.00           H  
HETATM   37  H   UNL     1       8.948   2.818  -1.240  1.00  0.00           H  
HETATM   38  H   UNL     1       7.545   3.468  -2.122  1.00  0.00           H  
HETATM   39  H   UNL     1       8.009   4.163  -0.551  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.463  -2.229   2.184  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.433  -2.135   0.695  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.668  -3.672   1.163  1.00  0.00           H  
HETATM   43  H   UNL     1       2.240  -3.696   0.427  1.00  0.00           H  
HETATM   44  H   UNL     1       0.070  -4.098   1.517  1.00  0.00           H  
HETATM   45  H   UNL     1       6.406   1.330  -2.247  1.00  0.00           H  
HETATM   46  H   UNL     1       5.127  -0.858  -2.085  1.00  0.00           H  
HETATM   47  H   UNL     1       3.388  -2.886  -1.549  1.00  0.00           H  
HETATM   48  H   UNL     1       2.635  -1.668  -2.606  1.00  0.00           H  
HETATM   49  H   UNL     1       0.438  -0.770  -2.099  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.736  -1.166  -1.015  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.261  -2.010  -1.552  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.542  -2.468  -1.629  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.762  -3.670  -1.145  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.629   1.807   1.146  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.861   1.785  -0.460  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.705   3.395  -0.475  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.139   2.004  -1.498  1.00  0.00           H  
CONECT    1    3   32   33   34                                       
CONECT    2    3   13   13   35                                       
CONECT    3    1    4    4    2                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4   15   14   14                                       
CONECT    6   13   37   38   39                                       
CONECT    7   18   19   19   10                                       
CONECT    8    9   40   41   42                                       
CONECT    9    8   22   24   23                                       
CONECT   10    7   11   11   43                                       
CONECT   11   10   10   21   44                                       
CONECT   12   30   30                                                 
CONECT   13    2    2   14    6                                       
CONECT   14    5    5   13   45                                       
CONECT   15    5   16   46                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    7   16   47   48                                       
CONECT   19    7    7   20   49                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   11   22                                       
CONECT   22   21    9                                                 
CONECT   23    9   51   52   53                                       
CONECT   24    9   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   54   55                                       
CONECT   28   27   29   56   57                                       
CONECT   29   28   30                                                 
CONECT   30   12   12   29   31                                       
CONECT   31   30                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
