COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.637  -1.205  -2.577  1.00  0.00           C  
HETATM    2  C   UNL     1       4.361  -1.196  -0.206  1.00  0.00           C  
HETATM    3  C   UNL     1       4.624  -2.537   0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       5.513  -2.898   1.033  1.00  0.00           C  
HETATM    5  C   UNL     1       6.139  -1.926   1.796  1.00  0.00           C  
HETATM    6  C   UNL     1       5.895  -0.591   1.560  1.00  0.00           C  
HETATM    7  C   UNL     1       4.786   1.215   0.272  1.00  0.00           C  
HETATM    8  C   UNL     1       2.400   1.112  -0.182  1.00  0.00           C  
HETATM    9  C   UNL     1       1.237   1.729   0.260  1.00  0.00           C  
HETATM   10  C   UNL     1       0.002  -0.048  -0.537  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.675  -0.442  -0.414  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.458   1.258   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.360  -0.412   1.461  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.883  -0.550   1.506  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.502  -0.303  -1.028  1.00  0.00           C  
HETATM   16  N   UNL     1       3.426  -0.842  -1.173  1.00  0.00           N  
HETATM   17  C   UNL     1       5.012  -0.210   0.545  1.00  0.00           C  
HETATM   18  O   UNL     1       5.749   1.954   0.345  1.00  0.00           O  
HETATM   19  N   UNL     1       3.624   1.765  -0.048  1.00  0.00           N  
HETATM   20  N   UNL     1       0.072   1.127   0.069  1.00  0.00           N  
HETATM   21  N   UNL     1       1.089  -0.678  -0.962  1.00  0.00           N  
HETATM   22  C   UNL     1       2.291  -0.141  -0.790  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.238  -0.635  -0.732  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.404   0.018  -0.288  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.502   0.482   0.142  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.710   1.532   0.625  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.962   0.396   0.222  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.351  -1.226   0.288  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.021  -0.445  -0.911  1.00  0.00           C  
HETATM   30  C   UNL     1       3.626   3.210  -0.287  1.00  0.00           C  
HETATM   31  H   UNL     1       3.193  -2.181  -2.771  1.00  0.00           H  
HETATM   32  H   UNL     1       3.168  -0.459  -3.219  1.00  0.00           H  
HETATM   33  H   UNL     1       4.706  -1.243  -2.786  1.00  0.00           H  
HETATM   34  H   UNL     1       4.133  -3.300  -0.547  1.00  0.00           H  
HETATM   35  H   UNL     1       5.720  -3.942   1.216  1.00  0.00           H  
HETATM   36  H   UNL     1       6.822  -2.217   2.581  1.00  0.00           H  
HETATM   37  H   UNL     1       6.387   0.162   2.159  1.00  0.00           H  
HETATM   38  H   UNL     1       1.282   2.688   0.755  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.975  -1.371  -0.876  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.610   1.878   0.614  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.015   0.103   2.357  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.905  -1.401   1.412  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.169  -1.137   2.379  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.336   0.439   1.569  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.259   0.289  -1.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.050  -1.291  -1.117  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.303  -1.496  -1.175  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.384   1.398   0.290  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.975  -2.160   0.226  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.474   0.544  -0.837  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.408  -0.955  -1.794  1.00  0.00           H  
HETATM   52  H   UNL     1       3.430   3.733   0.650  1.00  0.00           H  
HETATM   53  H   UNL     1       4.598   3.513  -0.676  1.00  0.00           H  
HETATM   54  H   UNL     1       2.851   3.460  -1.011  1.00  0.00           H  
CONECT    1   16   31   32   33                                       
CONECT    2   17   16    3    3                                       
CONECT    3    2    2    4   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5    6    4    4   36                                       
CONECT    6   17   17    5   37                                       
CONECT    7   19   18   18   17                                       
CONECT    8    9   19   22   22                                       
CONECT    9   20   20    8   38                                       
CONECT   10   20   23   21   21                                       
CONECT   11   24   24   25   39                                       
CONECT   12   24   26   26   40                                       
CONECT   13   14   27   41   42                                       
CONECT   14   13   28   43   44                                       
CONECT   15   27   29   45   46                                       
CONECT   16   22    2    1                                            
CONECT   17    7    6    6    2                                       
CONECT   18    7    7                                                 
CONECT   19   30    8    7                                            
CONECT   20    9    9   10                                            
CONECT   21   10   10   22                                            
CONECT   22    8    8   21   16                                       
CONECT   23   10   24   47                                            
CONECT   24   23   11   11   12                                       
CONECT   25   11   26   27                                            
CONECT   26   12   12   25                                            
CONECT   27   25   15   13   48                                       
CONECT   28   14   29   49                                            
CONECT   29   15   28   50   51                                       
CONECT   30   19   52   53   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
