COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.269   0.423   1.225  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.098  -0.386  -0.425  1.00  0.00           N  
HETATM    3  C   UNL     1       5.040  -0.003  -0.343  1.00  0.00           C  
HETATM    4  C   UNL     1       4.326   0.678  -1.336  1.00  0.00           C  
HETATM    5  C   UNL     1       3.099   1.228  -1.044  1.00  0.00           C  
HETATM    6  C   UNL     1       2.563   1.098   0.234  1.00  0.00           C  
HETATM    7  C   UNL     1       2.684   0.286   2.606  1.00  0.00           C  
HETATM    8  C   UNL     1       4.500  -0.126   0.942  1.00  0.00           C  
HETATM    9  C   UNL     1       2.329   1.961  -2.112  1.00  0.00           C  
HETATM   10  N   UNL     1       1.314   1.647   0.523  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.942  -0.936  -0.765  1.00  0.00           C  
HETATM   12  C   UNL     1       0.235  -0.278  -0.461  1.00  0.00           C  
HETATM   13  C   UNL     1       0.160   0.951   0.197  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.035   1.444   0.508  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.139   0.782   0.199  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.369   1.324   0.538  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.855  -0.867  -0.090  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.668  -1.522   0.252  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.517  -0.794   0.458  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.535   0.591   0.327  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.715   1.246  -0.013  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.869   0.524  -0.221  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.002  -2.220  -0.487  1.00  0.00           N  
HETATM   24  C   UNL     1      -8.052  -1.621  -0.311  1.00  0.00           C  
HETATM   25  C   UNL     1       7.038  -1.248   0.308  1.00  0.00           C  
HETATM   26  C   UNL     1       6.351  -0.593  -0.651  1.00  0.00           C  
HETATM   27  N   UNL     1       9.328  -2.279  -0.230  1.00  0.00           N  
HETATM   28  C   UNL     1       8.315  -1.823   0.008  1.00  0.00           C  
HETATM   29  H   UNL     1       4.739   0.775  -2.329  1.00  0.00           H  
HETATM   30  H   UNL     1       2.091  -0.627   2.661  1.00  0.00           H  
HETATM   31  H   UNL     1       3.489   0.241   3.340  1.00  0.00           H  
HETATM   32  H   UNL     1       2.047   1.145   2.818  1.00  0.00           H  
HETATM   33  H   UNL     1       5.048  -0.650   1.712  1.00  0.00           H  
HETATM   34  H   UNL     1       1.646   1.270  -2.606  1.00  0.00           H  
HETATM   35  H   UNL     1       1.760   2.772  -1.658  1.00  0.00           H  
HETATM   36  H   UNL     1       3.024   2.370  -2.845  1.00  0.00           H  
HETATM   37  H   UNL     1       1.253   2.515   0.951  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.919  -1.888  -1.273  1.00  0.00           H  
HETATM   39  H   UNL     1       1.191  -0.705  -0.727  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.418   2.214   0.921  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.653  -2.597   0.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.600  -1.299   0.722  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.725   2.321  -0.113  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.784   1.033  -0.485  1.00  0.00           H  
HETATM   45  H   UNL     1       6.625  -1.340   1.302  1.00  0.00           H  
HETATM   46  H   UNL     1       6.764  -0.501  -1.645  1.00  0.00           H  
CONECT    1    6    6    7    8                                       
CONECT    2   11   11   15                                            
CONECT    3    4    8    8   26                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    6    9                                       
CONECT    6    1    1    5   10                                       
CONECT    7    1   30   31   32                                       
CONECT    8    1    3    3   33                                       
CONECT    9    5   34   35   36                                       
CONECT   10    6   13   37                                            
CONECT   11    2    2   12   38                                       
CONECT   12   11   13   13   39                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   15                                            
CONECT   15    2   14   14   16                                       
CONECT   16   15   20   40                                            
CONECT   17   18   18   22   24                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   16   19   19   21                                       
CONECT   21   20   22   22   43                                       
CONECT   22   17   21   21   44                                       
CONECT   23   24   24   24                                            
CONECT   24   17   23   23   23                                       
CONECT   25   26   26   28   45                                       
CONECT   26    3   25   25   46                                       
CONECT   27   28   28   28                                            
CONECT   28   25   27   27   27                                       
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
