COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.207   0.674   0.830  1.00  0.00           C  
HETATM    2  C   UNL     1       4.088  -0.111   0.409  1.00  0.00           C  
HETATM    3  C   UNL     1       4.460  -1.361   0.931  1.00  0.00           C  
HETATM    4  C   UNL     1       5.778  -1.523   1.390  1.00  0.00           C  
HETATM    5  C   UNL     1       2.385  -1.508   0.319  1.00  0.00           C  
HETATM    6  N   UNL     1       2.775  -0.234   0.031  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.661   2.334  -0.327  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.395   0.902  -0.520  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.647   0.146  -0.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.364  -1.346  -0.457  1.00  0.00           C  
HETATM   11  CA  UNL     1      -4.683  -2.121  -0.463  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.397  -3.599  -0.400  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.489  -4.188   0.651  1.00  0.00           O  
HETATM   14  OXT UNL     1      -4.041  -4.262  -1.512  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.488  -1.727   0.701  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.526   0.680  -1.683  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.143   1.274  -1.408  1.00  0.00           C  
HETATM   18  C   UNL     1       0.750   1.164  -2.664  1.00  0.00           C  
HETATM   19  C   UNL     1       2.154   0.853  -2.100  1.00  0.00           C  
HETATM   20  O   UNL     1       3.075   1.887  -2.451  1.00  0.00           O  
HETATM   21  C   UNL     1       1.944   0.812  -0.570  1.00  0.00           C  
HETATM   22  N   UNL     1       4.985   0.869   0.378  1.00  0.00           N  
HETATM   23  N   UNL     1       6.604  -0.484   1.324  1.00  0.00           N  
HETATM   24  N   UNL     1       6.201  -2.732   1.915  1.00  0.00           N  
HETATM   25  N   UNL     1       3.375  -2.168   0.846  1.00  0.00           N  
HETATM   26  O   UNL     1       0.544   0.503  -0.398  1.00  0.00           O  
HETATM   27  O   UNL     1       0.760   2.400  -3.381  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.123   2.574   1.087  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.344   2.937   2.123  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.162   3.045   3.215  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.414   2.744   2.808  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.384   2.468   1.533  1.00  0.00           N  
HETATM   33  H   UNL     1       6.912   1.491   0.790  1.00  0.00           H  
HETATM   34  H   UNL     1       1.399  -1.911   0.136  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.750   2.902  -0.513  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.437   2.656  -1.023  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.353   0.481   0.115  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.074   0.312  -1.635  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.730  -1.701  -1.269  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.856  -1.501   0.495  1.00  0.00           H  
HETATM   41  HA  UNL     1      -5.232  -1.895  -1.377  1.00  0.00           H  
HETATM   42  HXT UNL     1      -3.868  -5.209  -1.422  1.00  0.00           H  
HETATM   43  H1  UNL     1      -6.391  -2.177   0.685  1.00  0.00           H  
HETATM   44  H2  UNL     1      -5.000  -1.926   1.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.431  -0.390  -1.867  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.961   1.162  -2.559  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.233   2.315  -1.097  1.00  0.00           H  
HETATM   48  H   UNL     1       0.406   0.354  -3.306  1.00  0.00           H  
HETATM   49  H   UNL     1       2.507  -0.112  -2.465  1.00  0.00           H  
HETATM   50  H   UNL     1       3.199   1.997  -3.404  1.00  0.00           H  
HETATM   51  H   UNL     1       2.177   1.781  -0.129  1.00  0.00           H  
HETATM   52  H   UNL     1       5.586  -3.480   1.969  1.00  0.00           H  
HETATM   53  H   UNL     1       7.114  -2.831   2.228  1.00  0.00           H  
HETATM   54  H   UNL     1       1.306   2.387  -4.179  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.278   3.109   2.098  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.893   3.292   4.114  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.295   2.737   3.433  1.00  0.00           H  
CONECT    1   23   23   22   33                                       
CONECT    2    3    6   22   22                                       
CONECT    3    4    4   25    2                                       
CONECT    4   24    3    3   23                                       
CONECT    5   25   25    6   34                                       
CONECT    6    5    2   21                                            
CONECT    7   28    8   35   36                                       
CONECT    8   16    7    9                                            
CONECT    9    8   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   15   12   41                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   42                                                 
CONECT   15   11   43   44                                            
CONECT   16   17    8   45   46                                       
CONECT   17   26   16   18   47                                       
CONECT   18   19   17   27   48                                       
CONECT   19   21   20   18   49                                       
CONECT   20   19   50                                                 
CONECT   21    6   19   26   51                                       
CONECT   22    1    2    2                                            
CONECT   23    4    1    1                                            
CONECT   24    4   52   53                                            
CONECT   25    3    5    5                                            
CONECT   26   21   17                                                 
CONECT   27   18   54                                                 
CONECT   28   32   29   29    7                                       
CONECT   29   30   28   28   55                                       
CONECT   30   31   29   56                                            
CONECT   31   30   32   32   57                                       
CONECT   32   31   31   28                                            
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
