COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.902   0.405  -0.499  1.00  0.00           N  
HETATM    2  C   UNL     1       3.135  -1.880   1.537  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.698   4.985   0.924  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.648  -0.107  -0.307  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.170   1.772  -0.951  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.298   2.695   0.262  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.578   4.123  -0.210  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.893  -0.534  -0.219  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.283  -0.432  -0.282  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.072  -1.514   0.048  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.493  -2.706   0.445  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.115  -2.814   0.511  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.324  -1.736   0.181  1.00  0.00           C  
HETATM   14  O   UNL     1       6.639   4.570   0.957  1.00  0.00           O  
HETATM   15  C   UNL     1       3.697  -1.626   0.137  1.00  0.00           C  
HETATM   16  N   UNL     1       4.731   0.322  -0.438  1.00  0.00           N1+
HETATM   17  C   UNL     1      -3.826  -1.539   0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.232  -1.733   1.547  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.179  -2.504  -0.846  1.00  0.00           C  
HETATM   20  C   UNL     1       4.972   1.714  -0.826  1.00  0.00           C  
HETATM   21  C   UNL     1       5.703   2.439   0.305  1.00  0.00           C  
HETATM   22  C   UNL     1       5.956   3.893  -0.100  1.00  0.00           C  
HETATM   23  C   UNL     1       5.730  -0.579  -0.241  1.00  0.00           C  
HETATM   24  C   UNL     1       7.122  -0.449  -0.341  1.00  0.00           C  
HETATM   25  C   UNL     1       7.935  -1.532  -0.086  1.00  0.00           C  
HETATM   26  C   UNL     1       7.389  -2.753   0.269  1.00  0.00           C  
HETATM   27  C   UNL     1       3.021  -2.540  -0.888  1.00  0.00           C  
HETATM   28  C   UNL     1       6.014  -2.894   0.371  1.00  0.00           C  
HETATM   29  C   UNL     1       5.196  -1.822   0.120  1.00  0.00           C  
HETATM   30  C   UNL     1       3.533  -0.170  -0.249  1.00  0.00           C  
HETATM   31  C   UNL     1       2.320   0.523  -0.380  1.00  0.00           C  
HETATM   32  C   UNL     1       1.137  -0.132  -0.195  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.076   0.531  -0.434  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.258  -0.123  -0.250  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.475   0.541  -0.490  1.00  0.00           C  
HETATM   36  H   UNL     1       3.609  -1.202   2.247  1.00  0.00           H  
HETATM   37  H   UNL     1       2.059  -1.709   1.533  1.00  0.00           H  
HETATM   38  H   UNL     1       3.338  -2.911   1.829  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.876   5.908   0.699  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.350   2.114  -1.583  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.099   1.791  -1.521  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.119   2.353   0.893  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.369   2.676   0.832  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.507   4.141  -0.780  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.758   4.464  -0.841  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.742   0.495  -0.591  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.147  -1.430  -0.002  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.115  -3.550   0.704  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.660  -3.743   0.821  1.00  0.00           H  
HETATM   50  H   UNL     1       6.832   5.499   0.769  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.736  -1.071   2.251  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.369  -2.769   1.860  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.168  -1.498   1.526  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.114  -2.286  -0.923  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.316  -3.529  -0.501  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.646  -2.384  -1.823  1.00  0.00           H  
HETATM   57  H   UNL     1       5.583   1.739  -1.728  1.00  0.00           H  
HETATM   58  H   UNL     1       4.020   2.208  -1.019  1.00  0.00           H  
HETATM   59  H   UNL     1       5.092   2.414   1.207  1.00  0.00           H  
HETATM   60  H   UNL     1       6.656   1.945   0.498  1.00  0.00           H  
HETATM   61  H   UNL     1       5.003   4.387  -0.293  1.00  0.00           H  
HETATM   62  H   UNL     1       6.567   3.918  -1.002  1.00  0.00           H  
HETATM   63  H   UNL     1       7.558   0.500  -0.618  1.00  0.00           H  
HETATM   64  H   UNL     1       9.007  -1.427  -0.164  1.00  0.00           H  
HETATM   65  H   UNL     1       8.035  -3.596   0.467  1.00  0.00           H  
HETATM   66  H   UNL     1       1.951  -2.336  -0.906  1.00  0.00           H  
HETATM   67  H   UNL     1       3.443  -2.352  -1.875  1.00  0.00           H  
HETATM   68  H   UNL     1       3.189  -3.581  -0.613  1.00  0.00           H  
HETATM   69  H   UNL     1       5.587  -3.847   0.647  1.00  0.00           H  
HETATM   70  H   UNL     1       2.323   1.574  -0.627  1.00  0.00           H  
HETATM   71  H   UNL     1       1.134  -1.160   0.136  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.073   1.559  -0.765  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.261  -1.151   0.081  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.473   1.569  -0.821  1.00  0.00           H  
CONECT    1    5    8    4                                            
CONECT    2   15   36   37   38                                       
CONECT    3    7   39                                                 
CONECT    4    1   35   35   17                                       
CONECT    5    6    1   40   41                                       
CONECT    6    5    7   42   43                                       
CONECT    7    6    3   44   45                                       
CONECT    8    9    1   13   13                                       
CONECT    9   10   10    8   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12   11   11   13   49                                       
CONECT   13    8    8   12   17                                       
CONECT   14   22   50                                                 
CONECT   15   30    2   29   27                                       
CONECT   16   20   30   30   23                                       
CONECT   17    4   13   18   19                                       
CONECT   18   17   51   52   53                                       
CONECT   19   17   54   55   56                                       
CONECT   20   21   16   57   58                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   14   61   62                                       
CONECT   23   16   24   24   29                                       
CONECT   24   23   23   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   25   25   28   65                                       
CONECT   27   15   66   67   68                                       
CONECT   28   29   29   26   69                                       
CONECT   29   23   15   28   28                                       
CONECT   30   31   16   16   15                                       
CONECT   31   32   32   30   70                                       
CONECT   32   33   31   31   71                                       
CONECT   33   34   34   32   72                                       
CONECT   34   35   33   33   73                                       
CONECT   35    4    4   34   74                                       
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
