COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.359   1.319  -0.043  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.589   2.474  -0.301  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.783   0.039  -0.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.768   1.437   0.332  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.155   3.698  -0.202  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.368  -0.135  -0.509  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.639  -1.118   0.153  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.335   2.674   0.431  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.563   3.825   0.172  1.00  0.00           C  
HETATM   10  C   UNL     1       0.640   0.141   0.415  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.026  -0.587  -1.799  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.122  -2.418   0.077  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.987  -0.912   0.507  1.00  0.00           C  
HETATM   14  C   UNL     1       1.974  -0.025   0.055  1.00  0.00           C  
HETATM   15  C   UNL     1       1.314  -0.749  -2.145  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.925  -3.486   0.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.790  -2.010   0.777  1.00  0.00           C  
HETATM   18  C   UNL     1       2.306  -0.467  -1.228  1.00  0.00           C  
HETATM   19  C   UNL     1       3.045   0.268   1.035  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.262  -3.291   0.698  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.475  -4.190   1.340  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.520  -5.743   0.888  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.316   6.226  -0.001  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.526   5.158   0.642  1.00  0.00           C  
HETATM   25  C   UNL     1       7.396   1.154   0.354  1.00  0.00           C  
HETATM   26  C   UNL     1       7.319  -1.114   1.117  1.00  0.00           C  
HETATM   27  C   UNL     1       8.631   0.919  -0.221  1.00  0.00           C  
HETATM   28  C   UNL     1       8.556  -1.348   0.547  1.00  0.00           C  
HETATM   29  C   UNL     1       5.398   0.397   1.658  1.00  0.00           C  
HETATM   30  C   UNL     1      10.557  -0.589  -0.751  1.00  0.00           C  
HETATM   31  C   UNL     1       6.741   0.139   1.025  1.00  0.00           C  
HETATM   32  C   UNL     1       9.211  -0.332  -0.124  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.087  -0.889  -2.784  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.116   5.028   0.268  1.00  0.00           N1+
HETATM   35  N   UNL     1      -5.071  -4.388   0.971  1.00  0.00           N  
HETATM   36  N   UNL     1       4.338   0.107   0.688  1.00  0.00           N  
HETATM   37  O   UNL     1      -4.505   0.333   0.579  1.00  0.00           O  
HETATM   38  O   UNL     1       2.759   0.653   2.151  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.758  -1.321  -4.017  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.254  -0.748  -2.481  1.00  0.00           O  
HETATM   41  H   UNL     1      -0.550   2.379  -0.577  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.567   4.582  -0.400  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.375   2.771   0.706  1.00  0.00           H  
HETATM   44  H   UNL     1       0.385   0.484   1.407  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.089  -2.573  -0.195  1.00  0.00           H  
HETATM   46  H   UNL     1       1.577  -1.095  -3.134  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.525  -4.488   0.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.826  -1.868   1.049  1.00  0.00           H  
HETATM   49  H   UNL     1       3.343  -0.594  -1.501  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.090  -4.189   0.441  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.795  -4.997   1.999  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.583  -3.235   1.855  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.115  -6.030   1.859  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.308  -6.439   0.602  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.726  -5.767   0.142  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.385   6.479  -1.059  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.693   7.056   0.597  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.275   6.033   0.260  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.609   5.234   1.727  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.943   6.054   0.183  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.076   4.283   0.296  1.00  0.00           H  
HETATM   62  H   UNL     1       6.944   2.133   0.282  1.00  0.00           H  
HETATM   63  H   UNL     1       6.807  -1.907   1.642  1.00  0.00           H  
HETATM   64  H   UNL     1       9.142   1.712  -0.745  1.00  0.00           H  
HETATM   65  H   UNL     1       9.012  -2.324   0.627  1.00  0.00           H  
HETATM   66  H   UNL     1       5.277  -0.245   2.530  1.00  0.00           H  
HETATM   67  H   UNL     1       5.335   1.441   1.963  1.00  0.00           H  
HETATM   68  H   UNL     1      11.343  -0.369  -0.028  1.00  0.00           H  
HETATM   69  H   UNL     1      10.624  -1.634  -1.054  1.00  0.00           H  
HETATM   70  H   UNL     1      10.679   0.051  -1.625  1.00  0.00           H  
HETATM   71  H   UNL     1       4.567  -0.200  -0.203  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.486  -1.505  -4.626  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    5    5    1   41                                       
CONECT    3    6    1    1    7                                       
CONECT    4    1    8    8   37                                       
CONECT    5    2    2    9   42                                       
CONECT    6   10    3   11   11                                       
CONECT    7    3   12   12   13                                       
CONECT    8    9    4    4   43                                       
CONECT    9    5   34   34    8                                       
CONECT   10   14   14    6   44                                       
CONECT   11    6    6   15   33                                       
CONECT   12    7    7   16   45                                       
CONECT   13    7   37   17   17                                       
CONECT   14   19   10   10   18                                       
CONECT   15   18   18   11   46                                       
CONECT   16   12   20   20   47                                       
CONECT   17   13   13   20   48                                       
CONECT   18   14   15   15   49                                       
CONECT   19   36   38   38   14                                       
CONECT   20   16   16   17   35                                       
CONECT   21   35   50   51   52                                       
CONECT   22   35   53   54   55                                       
CONECT   23   34   56   57   58                                       
CONECT   24   34   59   60   61                                       
CONECT   25   27   31   31   62                                       
CONECT   26   28   28   31   63                                       
CONECT   27   32   32   25   64                                       
CONECT   28   32   26   26   65                                       
CONECT   29   31   36   66   67                                       
CONECT   30   32   68   69   70                                       
CONECT   31   25   25   26   29                                       
CONECT   32   30   27   27   28                                       
CONECT   33   11   40   40   39                                       
CONECT   34   23    9    9   24                                       
CONECT   35   20   22   21                                            
CONECT   36   29   19   71                                            
CONECT   37    4   13                                                 
CONECT   38   19   19                                                 
CONECT   39   33   72                                                 
CONECT   40   33   33                                                 
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
