COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.810   0.321  -0.503  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.890  -0.426  -0.228  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.118  -1.744  -0.065  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.474  -2.277  -0.217  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.614  -3.751  -0.603  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.953  -3.297   0.818  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.642   0.064  -0.094  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.403   1.438  -0.270  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.331   2.377  -0.576  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.698   3.577  -0.658  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.338   3.372  -0.395  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.153   2.088  -0.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.865   1.443   0.175  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.700   0.162   0.402  1.00  0.00           N  
HETATM   15  C   UNL     1       0.604  -0.088   0.672  1.00  0.00           C  
HETATM   16  C   UNL     1       1.315  -1.253   0.979  1.00  0.00           C  
HETATM   17  C   UNL     1       2.671  -1.185   1.209  1.00  0.00           C  
HETATM   18  C   UNL     1       3.338   0.029   1.139  1.00  0.00           C  
HETATM   19  C   UNL     1       4.822   0.083   1.395  1.00  0.00           C  
HETATM   20  N   UNL     1       5.544  -0.108   0.130  1.00  0.00           N1+
HETATM   21  C   UNL     1       6.985   0.063   0.357  1.00  0.00           C  
HETATM   22  C   UNL     1       7.735  -0.136  -0.963  1.00  0.00           C  
HETATM   23  O   UNL     1       7.436  -1.434  -1.484  1.00  0.00           O  
HETATM   24  C   UNL     1       6.040  -1.658  -1.700  1.00  0.00           C  
HETATM   25  C   UNL     1       5.287  -1.462  -0.382  1.00  0.00           C  
HETATM   26  C   UNL     1       2.652   1.188   0.838  1.00  0.00           C  
HETATM   27  C   UNL     1       1.286   1.140   0.603  1.00  0.00           C  
HETATM   28  N   UNL     1       0.336   2.091   0.282  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.116   4.428  -0.863  1.00  0.00           H  
HETATM   30  H   UNL     1       5.226   0.572  -0.545  1.00  0.00           H  
HETATM   31  H   UNL     1       0.491   3.040   0.157  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.385  -2.339   0.154  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.211  -1.581  -0.616  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.444  -4.024  -1.256  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.698  -4.324  -0.743  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.259  -3.571   1.613  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.005  -3.271   1.101  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.908  -0.531   0.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.386   2.203  -0.728  1.00  0.00           H  
HETATM   40  H   UNL     1       0.803  -2.201   1.035  1.00  0.00           H  
HETATM   41  H   UNL     1       3.219  -2.085   1.446  1.00  0.00           H  
HETATM   42  H   UNL     1       5.083   1.053   1.819  1.00  0.00           H  
HETATM   43  H   UNL     1       5.099  -0.706   2.094  1.00  0.00           H  
HETATM   44  H   UNL     1       7.177   1.067   0.736  1.00  0.00           H  
HETATM   45  H   UNL     1       7.328  -0.672   1.085  1.00  0.00           H  
HETATM   46  H   UNL     1       7.422   0.625  -1.678  1.00  0.00           H  
HETATM   47  H   UNL     1       8.808  -0.052  -0.788  1.00  0.00           H  
HETATM   48  H   UNL     1       5.668  -0.950  -2.440  1.00  0.00           H  
HETATM   49  H   UNL     1       5.886  -2.676  -2.059  1.00  0.00           H  
HETATM   50  H   UNL     1       5.631  -2.196   0.347  1.00  0.00           H  
HETATM   51  H   UNL     1       4.218  -1.590  -0.551  1.00  0.00           H  
HETATM   52  H   UNL     1       3.178   2.129   0.785  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   32                                            
CONECT    4    3    5    6   33                                       
CONECT    5    4   34   35    6                                       
CONECT    6    4    5   37   36                                       
CONECT    7    2   38    8                                            
CONECT    8    7   12    9    9                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   29                                            
CONECT   11   10   12   12                                            
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   14   28                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   27                                       
CONECT   16   15   15   40   17                                       
CONECT   17   16   41   18   18                                       
CONECT   18   17   17   19   26                                       
CONECT   19   18   20   43   42                                       
CONECT   20   19   30   25   21                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   46   23   47                                       
CONECT   23   22   24                                                 
CONECT   24   23   48   49   25                                       
CONECT   25   20   24   51   50                                       
CONECT   26   18   27   27   52                                       
CONECT   27   15   26   26   28                                       
CONECT   28   13   27   31                                            
CONECT   29   10                                                      
CONECT   30   20                                                      
CONECT   31   28                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
