COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.584  -2.097  -0.394  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.707  -3.866  -2.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.695  -3.069  -0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.311   2.704  -0.906  1.00  0.00           C  
HETATM    5  C   UNL     1       4.429  -0.790   0.513  1.00  0.00           C  
HETATM    6  C   UNL     1       6.805  -0.624  -0.503  1.00  0.00           C  
HETATM    7  O   UNL     1       1.887  -1.103   1.800  1.00  0.00           O  
HETATM    8  C   UNL     1       1.959  -0.415   0.799  1.00  0.00           C  
HETATM    9  N   UNL     1       0.855   0.184   0.312  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.433   0.009   0.988  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.557   1.028   2.122  1.00  0.00           C  
HETATM   12  C   UNL     1       0.503   0.739   3.187  1.00  0.00           C  
HETATM   13  C   UNL     1       0.461   1.831   4.258  1.00  0.00           C  
HETATM   14  C   UNL     1       0.220  -0.619   3.832  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.552   0.217   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.834   0.104   0.401  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.921   0.306  -0.560  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.069  -0.654  -0.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.243  -2.399  -1.871  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.744  -4.046  -0.985  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.433  -2.981   0.896  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.422   1.749  -0.466  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.791   4.086  -0.816  1.00  0.00           N1+
HETATM   24  O   UNL     1      -4.407   4.454   0.168  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.574   4.866  -1.726  1.00  0.00           O1-
HETATM   26  O   UNL     1      -1.298   0.485  -1.155  1.00  0.00           O  
HETATM   27  C   UNL     1       3.250  -0.239   0.120  1.00  0.00           C  
HETATM   28  C   UNL     1       5.425  -0.378  -0.403  1.00  0.00           C  
HETATM   29  O   UNL     1       7.427  -1.409   0.414  1.00  0.00           O  
HETATM   30  C   UNL     1       8.832  -1.614   0.246  1.00  0.00           C  
HETATM   31  C   UNL     1       7.524  -0.064  -1.540  1.00  0.00           C  
HETATM   32  C   UNL     1       6.892   0.739  -2.479  1.00  0.00           C  
HETATM   33  C   UNL     1       5.541   0.990  -2.396  1.00  0.00           C  
HETATM   34  C   UNL     1       4.792   0.438  -1.360  1.00  0.00           C  
HETATM   35  N   UNL     1       3.461   0.515  -1.020  1.00  0.00           N  
HETATM   36  H   UNL     1      -3.717  -2.277   0.242  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.122  -4.040  -3.001  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.873  -4.544  -1.825  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.445   2.578  -0.256  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.029   2.484  -1.935  1.00  0.00           H  
HETATM   41  H   UNL     1       4.580  -1.426   1.373  1.00  0.00           H  
HETATM   42  H   UNL     1       0.913   0.732  -0.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.493  -1.000   1.398  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.408   2.033   1.725  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.549   0.957   2.568  1.00  0.00           H  
HETATM   46  H   UNL     1       1.489   0.722   2.723  1.00  0.00           H  
HETATM   47  H   UNL     1       1.216   1.624   5.017  1.00  0.00           H  
HETATM   48  H   UNL     1       0.663   2.798   3.799  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.525   1.847   4.722  1.00  0.00           H  
HETATM   50  H   UNL     1       0.249  -1.397   3.069  1.00  0.00           H  
HETATM   51  H   UNL     1       0.974  -0.826   4.590  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.767  -0.603   4.295  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.036  -0.111   1.325  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.556   0.113  -1.568  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.896  -0.473  -0.927  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.405  -0.490   0.784  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.805  -1.748  -2.542  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.172  -2.310  -2.050  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.383  -4.776  -0.976  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.705   1.970   0.563  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.289   1.876  -1.116  1.00  0.00           H  
HETATM   62  H   UNL     1       9.346  -0.654   0.285  1.00  0.00           H  
HETATM   63  H   UNL     1       9.202  -2.258   1.044  1.00  0.00           H  
HETATM   64  H   UNL     1       9.017  -2.087  -0.718  1.00  0.00           H  
HETATM   65  H   UNL     1       8.585  -0.250  -1.620  1.00  0.00           H  
HETATM   66  H   UNL     1       7.467   1.171  -3.285  1.00  0.00           H  
HETATM   67  H   UNL     1       5.062   1.616  -3.134  1.00  0.00           H  
HETATM   68  H   UNL     1       2.782   1.012  -1.502  1.00  0.00           H  
CONECT    1   18    3   19   36                                       
CONECT    2   20   19   37   38                                       
CONECT    3   21   21    1   20                                       
CONECT    4   23   22   39   40                                       
CONECT    5   27   27   28   41                                       
CONECT    6   28   29   31   31                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   27                                       
CONECT    9   10    8   42                                            
CONECT   10   11   15    9   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   13   14   11   46                                       
CONECT   13   12   47   48   49                                       
CONECT   14   12   50   51   52                                       
CONECT   15   16   10   26   26                                       
CONECT   16   17   15   53                                            
CONECT   17   22   18   16   54                                       
CONECT   18   17    1   55   56                                       
CONECT   19    1    2   57   58                                       
CONECT   20    3    2   59                                            
CONECT   21    3    3                                                 
CONECT   22    4   17   60   61                                       
CONECT   23   25   24   24    4                                       
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   15   15                                                 
CONECT   27    8   35    5    5                                       
CONECT   28    5   34   34    6                                       
CONECT   29    6   30                                                 
CONECT   30   29   62   63   64                                       
CONECT   31    6    6   32   65                                       
CONECT   32   33   33   31   66                                       
CONECT   33   34   32   32   67                                       
CONECT   34   35   28   28   33                                       
CONECT   35   27   34   68                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
