COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.034  -1.249   1.096  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.306   0.526  -0.191  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.658   0.041   0.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.643   0.837  -0.474  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.321   1.859  -1.271  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.639   1.635  -1.150  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.854   0.549  -0.338  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.714  -2.326   1.907  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.308  -0.988   0.859  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.029   0.985  -0.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.384  -0.136  -0.813  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.094  -0.428  -0.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.443   0.402   0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.088   1.524   0.990  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.376   1.817   0.587  1.00  0.00           C  
HETATM   16  C   UNL     1       1.733  -0.445   0.021  1.00  0.00           C  
HETATM   17  CA  UNL     1       3.959  -1.243  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1       3.857  -2.745  -0.494  1.00  0.00           C  
HETATM   19  C   UNL     1       5.383  -0.811  -0.212  1.00  0.00           C  
HETATM   20  C   UNL     1       5.520   0.701  -0.406  1.00  0.00           C  
HETATM   21  C   UNL     1       6.923   1.127  -0.057  1.00  0.00           C  
HETATM   22  C   UNL     1       7.903   1.146  -1.032  1.00  0.00           C  
HETATM   23  C   UNL     1       9.189   1.536  -0.712  1.00  0.00           C  
HETATM   24  C   UNL     1       9.497   1.907   0.584  1.00  0.00           C  
HETATM   25  C   UNL     1       8.518   1.888   1.559  1.00  0.00           C  
HETATM   26  C   UNL     1       7.229   1.503   1.237  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.050  -0.515   0.591  1.00  0.00           N  
HETATM   28  N   UNL     1       0.866   0.106   0.893  1.00  0.00           N  
HETATM   29  N   UNL     1       3.016  -0.644   0.382  1.00  0.00           N  
HETATM   30  O   UNL     1      -4.298   1.271  -0.704  1.00  0.00           O  
HETATM   31  O   UNL     1       1.357  -0.763  -1.091  1.00  0.00           O  
HETATM   32  OXT UNL     1       4.633  -3.509  -1.280  1.00  0.00           O  
HETATM   33  O   UNL     1       3.078  -3.262   0.271  1.00  0.00           O  
HETATM   34  H   UNL     1      -6.852   2.644  -1.845  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.415   2.221  -1.620  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.725   0.195  -0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.785  -2.531   2.096  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.419  -2.874   2.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.891  -0.782  -1.515  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.592  -1.301  -0.805  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.581   2.171   1.690  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.878   2.690   0.978  1.00  0.00           H  
HETATM   43  HA  UNL     1       3.719  -0.911  -1.577  1.00  0.00           H  
HETATM   44  H   UNL     1       5.592  -1.064   0.827  1.00  0.00           H  
HETATM   45  H   UNL     1       6.091  -1.326  -0.861  1.00  0.00           H  
HETATM   46  H   UNL     1       5.312   0.954  -1.445  1.00  0.00           H  
HETATM   47  H   UNL     1       4.812   1.216   0.243  1.00  0.00           H  
HETATM   48  H   UNL     1       7.662   0.856  -2.044  1.00  0.00           H  
HETATM   49  H   UNL     1       9.955   1.551  -1.474  1.00  0.00           H  
HETATM   50  H   UNL     1      10.502   2.211   0.834  1.00  0.00           H  
HETATM   51  H   UNL     1       8.758   2.177   2.572  1.00  0.00           H  
HETATM   52  H   UNL     1       6.464   1.488   2.000  1.00  0.00           H  
HETATM   53  H   UNL     1       1.148   0.299   1.801  1.00  0.00           H  
HETATM   54  H   UNL     1       3.316  -0.390   1.268  1.00  0.00           H  
HETATM   55  HXT UNL     1       4.532  -4.467  -1.198  1.00  0.00           H  
CONECT    1    8    9    9   27                                       
CONECT    2   27   27    4   30                                       
CONECT    3    9    7    4    4                                       
CONECT    4    3    3    2    5                                       
CONECT    5    4    6    6   34                                       
CONECT    6    7    5    5   35                                       
CONECT    7    3    6   36                                            
CONECT    8    1   37   38                                            
CONECT    9    1    1    3                                            
CONECT   10   15   30   11   11                                       
CONECT   11   10   10   12   39                                       
CONECT   12   13   13   11   40                                       
CONECT   13   14   28   12   12                                       
CONECT   14   15   15   13   41                                       
CONECT   15   14   14   10   42                                       
CONECT   16   28   29   31   31                                       
CONECT   17   19   29   18   43                                       
CONECT   18   17   33   33   32                                       
CONECT   19   20   17   44   45                                       
CONECT   20   21   19   46   47                                       
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   48                                       
CONECT   23   24   22   22   49                                       
CONECT   24   25   25   23   50                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   21   21   52                                       
CONECT   27    1    2    2                                            
CONECT   28   13   16   53                                            
CONECT   29   16   17   54                                            
CONECT   30    2   10                                                 
CONECT   31   16   16                                                 
CONECT   32   18   55                                                 
CONECT   33   18   18                                                 
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
