COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.345  -2.100  -0.044  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.552   0.113   0.998  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.421   0.196   0.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.839   1.517  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1       3.929  -0.109  -0.049  1.00  0.00           C  
HETATM    6  C   UNL     1       4.945  -0.086   2.127  1.00  0.00           C  
HETATM    7  C   UNL     1       7.424   0.109   2.406  1.00  0.00           C  
HETATM    8  O   UNL     1       2.825  -0.142  -2.109  1.00  0.00           O  
HETATM    9  C   UNL     1       2.721  -0.184  -0.898  1.00  0.00           C  
HETATM   10  N   UNL     1       1.505  -0.300  -0.330  1.00  0.00           N  
HETATM   11  C   UNL     1       0.307  -0.374  -1.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.933  -0.501  -0.284  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.183  -0.579  -1.162  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.423  -0.705  -0.275  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.673  -0.783  -1.153  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.860  -0.904  -0.304  1.00  0.00           N1+
HETATM   17  C   UNL     1      -7.468  -2.255   0.750  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.086  -1.133   1.282  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.377   2.591   0.352  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.819   3.857   0.053  1.00  0.00           O  
HETATM   21  C   UNL     1       3.813  -0.157   1.340  1.00  0.00           C  
HETATM   22  C   UNL     1       6.192   0.033   1.541  1.00  0.00           C  
HETATM   23  C   UNL     1       6.315   0.075   0.163  1.00  0.00           C  
HETATM   24  N   UNL     1       7.654   0.196  -0.456  1.00  0.00           N1+
HETATM   25  O   UNL     1       7.801   0.866  -1.462  1.00  0.00           O  
HETATM   26  O   UNL     1       8.608  -0.375   0.041  1.00  0.00           O1-
HETATM   27  C   UNL     1       5.192   0.005  -0.635  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.862  -2.972  -0.460  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.007   1.008   1.397  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.963   1.587  -0.754  1.00  0.00           H  
HETATM   31  H   UNL     1       4.856  -0.123   3.203  1.00  0.00           H  
HETATM   32  H   UNL     1       7.862  -0.884   2.503  1.00  0.00           H  
HETATM   33  H   UNL     1       8.148   0.784   1.948  1.00  0.00           H  
HETATM   34  H   UNL     1       7.151   0.484   3.393  1.00  0.00           H  
HETATM   35  H   UNL     1       1.421  -0.333   0.636  1.00  0.00           H  
HETATM   36  H   UNL     1       0.231   0.529  -1.776  1.00  0.00           H  
HETATM   37  H   UNL     1       0.376  -1.244  -1.825  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.856  -1.404   0.321  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.259   0.325  -1.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.346  -1.609   0.330  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.749   0.121  -1.758  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.860  -3.240   0.953  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.961  -1.229   1.908  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.290   4.600   0.455  1.00  0.00           H  
HETATM   45  H   UNL     1       2.840  -0.249   1.799  1.00  0.00           H  
HETATM   46  H   UNL     1       5.288   0.038  -1.710  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.001   0.369   0.370  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.114  -1.448  -1.816  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.491   0.165   0.379  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.604  -1.652  -1.807  1.00  0.00           H  
CONECT    1   16   16   17   28                                       
CONECT    2    3    3   18   29                                       
CONECT    3    4    2    2   16                                       
CONECT    4    3   19   19   30                                       
CONECT    5   21   21   27    9                                       
CONECT    6   22   22   21   31                                       
CONECT    7   22   32   33   34                                       
CONECT    8    9    9                                                 
CONECT    9    5   10    8    8                                       
CONECT   10    9   11   35                                            
CONECT   11   10   12   36   37                                       
CONECT   12   13   11   38   47                                       
CONECT   13   14   12   39   48                                       
CONECT   14   15   13   40   49                                       
CONECT   15   16   14   41   50                                       
CONECT   16    3   15    1    1                                       
CONECT   17   18   18    1   42                                       
CONECT   18    2   17   17   43                                       
CONECT   19   20    4    4                                            
CONECT   20   19   44                                                 
CONECT   21    6    5    5   45                                       
CONECT   22    7    6    6   23                                       
CONECT   23   22   24   27   27                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   23   23    5   46                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   27                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
