COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.559   4.118  -2.896  1.00  0.00           C  
HETATM    2  C   UNL     1       3.767   3.892  -1.607  1.00  0.00           C  
HETATM    3  C   UNL     1       2.431   4.633  -1.692  1.00  0.00           C  
HETATM    4  C   UNL     1       2.483   0.752  -0.007  1.00  0.00           C  
HETATM    5  C   UNL     1       3.748  -0.106   0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       3.361  -1.586   0.029  1.00  0.00           C  
HETATM    7  C   UNL     1       4.249  -3.897  -0.118  1.00  0.00           C  
HETATM    8  C   UNL     1       1.678   0.542   1.276  1.00  0.00           C  
HETATM    9  C   UNL     1       0.353   1.303   1.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.283  -1.305  -0.654  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.425  -1.195  -0.978  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.780  -1.357  -1.312  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.046  -0.032  -0.286  1.00  0.00           C  
HETATM   14  C   UNL     1       3.510   2.396  -1.421  1.00  0.00           C  
HETATM   15  N   UNL     1       2.855   2.168  -0.126  1.00  0.00           N1+
HETATM   16  CA  UNL     1       4.628  -2.445   0.015  1.00  0.00           C  
HETATM   17  N   UNL     1       5.369  -2.244   1.267  1.00  0.00           N1+
HETATM   18  O   UNL     1       4.229  -4.608   0.859  1.00  0.00           O  
HETATM   19  OXT UNL     1       3.934  -4.401  -1.322  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.470   0.720   0.154  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.840   0.844   0.593  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.763   0.532   2.109  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.852   1.138   2.809  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.418   1.186   2.507  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.638   2.480   3.073  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.691  -0.132  -0.092  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.301  -1.926  -1.176  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.212  -2.481  -1.993  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.637  -0.405  -0.958  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.234   0.672  -0.308  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.975   0.865   0.026  1.00  0.00           N  
HETATM   32  H   UNL     1       3.988   3.740  -3.744  1.00  0.00           H  
HETATM   33  H   UNL     1       4.743   5.184  -3.028  1.00  0.00           H  
HETATM   34  H   UNL     1       5.511   3.590  -2.835  1.00  0.00           H  
HETATM   35  H   UNL     1       4.339   4.271  -0.759  1.00  0.00           H  
HETATM   36  H   UNL     1       1.860   4.255  -2.540  1.00  0.00           H  
HETATM   37  H   UNL     1       1.867   4.472  -0.774  1.00  0.00           H  
HETATM   38  H   UNL     1       2.615   5.699  -1.824  1.00  0.00           H  
HETATM   39  H   UNL     1       1.878   0.463  -0.867  1.00  0.00           H  
HETATM   40  H   UNL     1       4.368   0.113  -0.832  1.00  0.00           H  
HETATM   41  H   UNL     1       4.307   0.118   0.947  1.00  0.00           H  
HETATM   42  H   UNL     1       2.778  -1.815   0.921  1.00  0.00           H  
HETATM   43  H   UNL     1       2.767  -1.801  -0.859  1.00  0.00           H  
HETATM   44  H   UNL     1       1.477  -0.521   1.410  1.00  0.00           H  
HETATM   45  H   UNL     1       2.248   0.914   2.128  1.00  0.00           H  
HETATM   46  H   UNL     1       0.544   2.351   0.948  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.265  -1.664  -0.667  1.00  0.00           H  
HETATM   48  H   UNL     1       2.864   2.036  -2.223  1.00  0.00           H  
HETATM   49  H   UNL     1       4.457   1.858  -1.449  1.00  0.00           H  
HETATM   50  H   UNL     1       2.027   2.740  -0.062  1.00  0.00           H  
HETATM   51  H   UNL     1       3.490   2.412   0.619  1.00  0.00           H  
HETATM   52  HA  UNL     1       5.254  -2.154  -0.829  1.00  0.00           H  
HETATM   53  H1  UNL     1       4.790  -2.514   2.048  1.00  0.00           H  
HETATM   54  H2  UNL     1       6.205  -2.810   1.257  1.00  0.00           H  
HETATM   55  H3  UNL     1       5.623  -1.272   1.356  1.00  0.00           H  
HETATM   56  HXT UNL     1       3.698  -5.338  -1.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.206   1.857   0.424  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.740  -0.543   2.284  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.848   0.971   3.762  1.00  0.00           H  
HETATM   60  H   UNL     1       0.123   0.549   3.207  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.120   2.466   3.911  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.577  -3.169  -2.246  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.151  -2.581  -2.218  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.964   1.421  -0.039  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1   14    3   35                                       
CONECT    3    2   36   37   38                                       
CONECT    4    5   15    8   39                                       
CONECT    5    6    4   40   41                                       
CONECT    6   16    5   42   43                                       
CONECT    7   18   18   19   16                                       
CONECT    8    4    9   44   45                                       
CONECT    9    8   20   24   46                                       
CONECT   10   26   27   27   47                                       
CONECT   11   13   27   12   12                                       
CONECT   12   11   11   29   28                                       
CONECT   13   26   31   31   11                                       
CONECT   14    2   15   48   49                                       
CONECT   15    4   14   50   51                                       
CONECT   16    7    6   17   52                                       
CONECT   17   16   53   54   55                                       
CONECT   18    7    7                                                 
CONECT   19    7   56                                                 
CONECT   20    9   21                                                 
CONECT   21   20   22   26   57                                       
CONECT   22   23   24   21   58                                       
CONECT   23   22   59                                                 
CONECT   24   25    9   22   60                                       
CONECT   25   24   61                                                 
CONECT   26   21   10   13                                            
CONECT   27   10   10   11                                            
CONECT   28   12   62   63                                            
CONECT   29   30   30   12                                            
CONECT   30   31   29   29   64                                       
CONECT   31   13   13   30                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
