COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.957  -1.614   1.464  1.00  0.00           N  
HETATM    2  N   UNL     1       7.530  -0.375  -1.508  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.378   0.351   1.369  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.270  -0.411   0.689  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.057  -1.530   2.617  1.00  0.00           C  
HETATM    6  C   UNL     1       0.361  -1.766   2.165  1.00  0.00           C  
HETATM    7  C   UNL     1       0.872  -3.056   2.145  1.00  0.00           C  
HETATM    8  C   UNL     1       2.970  -2.219   1.335  1.00  0.00           C  
HETATM    9  C   UNL     1       6.617   0.509   0.941  1.00  0.00           C  
HETATM   10  C   UNL     1       8.653   1.900   1.273  1.00  0.00           C  
HETATM   11  C   UNL     1       8.027  -0.843  -2.804  1.00  0.00           C  
HETATM   12  C   UNL     1       3.049   1.717  -0.684  1.00  0.00           C  
HETATM   13  C   UNL     1       3.111   3.236  -0.877  1.00  0.00           C  
HETATM   14  C   UNL     1       2.694   3.578  -2.310  1.00  0.00           C  
HETATM   15  C   UNL     1       1.634   1.230  -1.010  1.00  0.00           C  
HETATM   16  C   UNL     1       1.140  -0.699   1.769  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.504  -2.862   0.036  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.054  -1.648  -2.971  1.00  0.00           N  
HETATM   19  N   UNL     1      -7.177  -2.351  -2.974  1.00  0.00           N1+
HETATM   20  N   UNL     1      -6.300  -3.053  -2.976  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.401  -2.992  -2.008  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.251  -3.900  -1.995  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.346  -3.809  -0.983  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.533  -2.014  -0.924  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.589  -1.979   0.055  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.503  -2.798   1.120  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.171  -3.812   1.702  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.860  -0.070   2.399  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.834   1.500   0.832  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.911   2.241   1.493  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.232   3.479   0.695  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.623   3.718  -0.321  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.194   4.316   1.114  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.450   5.488   0.296  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.570   6.316   0.928  1.00  0.00           C  
HETATM   36  C   UNL     1       2.445  -0.915   1.352  1.00  0.00           C  
HETATM   37  C   UNL     1       2.163  -3.290   1.730  1.00  0.00           C  
HETATM   38  N   UNL     1       3.461  -0.084   0.917  1.00  0.00           N  
HETATM   39  C   UNL     1       3.390   1.371   0.766  1.00  0.00           C  
HETATM   40  C   UNL     1       1.273   1.650  -2.438  1.00  0.00           C  
HETATM   41  O   UNL     1       1.382   3.070  -2.557  1.00  0.00           O  
HETATM   42  C   UNL     1       4.547  -0.877   0.653  1.00  0.00           C  
HETATM   43  N   UNL     1       4.252  -2.130   0.901  1.00  0.00           N  
HETATM   44  C   UNL     1       5.854  -0.392   0.163  1.00  0.00           C  
HETATM   45  C   UNL     1       6.338  -0.814  -1.056  1.00  0.00           C  
HETATM   46  C   UNL     1       8.272   0.482  -0.783  1.00  0.00           C  
HETATM   47  O   UNL     1       9.348   0.865  -1.214  1.00  0.00           O  
HETATM   48  C   UNL     1       7.817   0.940   0.467  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.383   0.219   0.623  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.587  -0.697  -0.314  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.135  -0.540   3.067  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.336  -2.286   3.351  1.00  0.00           H  
HETATM   53  H   UNL     1       0.251  -3.883   2.458  1.00  0.00           H  
HETATM   54  H   UNL     1       6.252   0.851   1.899  1.00  0.00           H  
HETATM   55  H   UNL     1       9.571   2.126   0.732  1.00  0.00           H  
HETATM   56  H   UNL     1       8.092   2.820   1.438  1.00  0.00           H  
HETATM   57  H   UNL     1       8.899   1.448   2.234  1.00  0.00           H  
HETATM   58  H   UNL     1       8.999  -0.392  -3.004  1.00  0.00           H  
HETATM   59  H   UNL     1       8.127  -1.928  -2.785  1.00  0.00           H  
HETATM   60  H   UNL     1       7.326  -0.556  -3.587  1.00  0.00           H  
HETATM   61  H   UNL     1       3.763   1.235  -1.352  1.00  0.00           H  
HETATM   62  H   UNL     1       2.433   3.720  -0.175  1.00  0.00           H  
HETATM   63  H   UNL     1       4.129   3.584  -0.701  1.00  0.00           H  
HETATM   64  H   UNL     1       2.696   4.660  -2.440  1.00  0.00           H  
HETATM   65  H   UNL     1       3.397   3.127  -3.011  1.00  0.00           H  
HETATM   66  H   UNL     1       1.595   0.144  -0.929  1.00  0.00           H  
HETATM   67  H   UNL     1       0.926   1.674  -0.310  1.00  0.00           H  
HETATM   68  H   UNL     1       0.734   0.302   1.783  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.877  -1.901  -2.523  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.124  -4.632  -2.778  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.496  -4.474  -0.966  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.368  -1.330  -0.904  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.679  -1.262   0.858  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.448   1.837   0.008  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.798   1.611   1.558  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.593   2.527   2.495  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.544   6.091   0.233  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.748   5.175  -0.704  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.762   7.196   0.314  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.476   5.713   0.991  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.272   6.629   1.928  1.00  0.00           H  
HETATM   82  H   UNL     1       2.555  -4.296   1.722  1.00  0.00           H  
HETATM   83  H   UNL     1       4.353   1.811   1.028  1.00  0.00           H  
HETATM   84  H   UNL     1       2.618   1.767   1.426  1.00  0.00           H  
HETATM   85  H   UNL     1       1.957   1.173  -3.140  1.00  0.00           H  
HETATM   86  H   UNL     1       0.251   1.343  -2.660  1.00  0.00           H  
HETATM   87  H   UNL     1       5.758  -1.502  -1.654  1.00  0.00           H  
CONECT    1    4    5   26                                            
CONECT    2   11   46   45                                            
CONECT    3   29   28   28    4                                       
CONECT    4    3    1   49   50                                       
CONECT    5    6    1   51   52                                       
CONECT    6    7    7   16    5                                       
CONECT    7   37    6    6   53                                       
CONECT    8   43   37   37   36                                       
CONECT    9   48   48   44   54                                       
CONECT   10   48   55   56   57                                       
CONECT   11    2   58   59   60                                       
CONECT   12   39   15   13   61                                       
CONECT   13   12   14   62   63                                       
CONECT   14   13   41   64   65                                       
CONECT   15   12   40   66   67                                       
CONECT   16   36   36    6   68                                       
CONECT   17   26   25   25   23                                       
CONECT   18   19   19   69                                            
CONECT   19   20   20   18   18                                       
CONECT   20   21   19   19                                            
CONECT   21   24   24   22   20                                       
CONECT   22   23   23   21   70                                       
CONECT   23   17   22   22   71                                       
CONECT   24   25   21   21   72                                       
CONECT   25   17   17   24   73                                       
CONECT   26    1   27   27   17                                       
CONECT   27   26   26                                                 
CONECT   28    3    3                                                 
CONECT   29    3   30   74                                            
CONECT   30   29   31   75   76                                       
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   34   31                                                 
CONECT   34   35   33   77   78                                       
CONECT   35   34   79   80   81                                       
CONECT   36    8   38   16   16                                       
CONECT   37    8    8    7   82                                       
CONECT   38   42   36   39                                            
CONECT   39   38   12   83   84                                       
CONECT   40   15   41   85   86                                       
CONECT   41   40   14                                                 
CONECT   42   43   43   44   38                                       
CONECT   43    8   42   42                                            
CONECT   44   45   45    9   42                                       
CONECT   45    2   44   44   87                                       
CONECT   46    2   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   10    9    9                                       
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
