COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.837   3.991  -0.743  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.404   2.775  -0.706  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.816   2.270  -1.724  1.00  0.00           O  
HETATM    4  CA  UNL     1      -2.527   2.040   0.603  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.175   0.746   0.378  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.520   0.661   0.353  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.174  -0.642   0.125  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.570  -0.734   0.098  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.331   0.376   0.281  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.175  -1.968  -0.116  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.532  -2.065  -0.144  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.396  -3.098  -0.302  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.015  -3.007  -0.275  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.401  -1.790  -0.069  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.195   1.659   0.517  1.00  0.00           O  
HETATM   16  CB  UNL     1      -1.134   1.816   1.195  1.00  0.00           C  
HETATM   17  OG  UNL     1      -0.299   1.133   0.223  1.00  0.00           O  
HETATM   18  C   UNL     1       0.963   0.859   0.589  1.00  0.00           C  
HETATM   19  O   UNL     1       1.357   1.180   1.685  1.00  0.00           O  
HETATM   20  CA  UNL     1       1.888   0.151  -0.367  1.00  0.00           C  
HETATM   21  C   UNL     1       1.302  -1.216  -0.725  1.00  0.00           C  
HETATM   22  O   UNL     1       1.048  -1.954   0.472  1.00  0.00           O  
HETATM   23  N   UNL     1       3.198  -0.028   0.263  1.00  0.00           N  
HETATM   24  C   UNL     1       4.301  -0.157  -0.500  1.00  0.00           C  
HETATM   25  O   UNL     1       4.209  -0.124  -1.712  1.00  0.00           O  
HETATM   26  C   UNL     1       5.621  -0.338   0.135  1.00  0.00           C  
HETATM   27  C   UNL     1       6.769  -0.472  -0.654  1.00  0.00           C  
HETATM   28  O   UNL     1       6.675  -0.435  -2.008  1.00  0.00           O  
HETATM   29  C   UNL     1       5.731  -0.371   1.528  1.00  0.00           C  
HETATM   30  C   UNL     1       6.965  -0.540   2.118  1.00  0.00           C  
HETATM   31  C   UNL     1       8.100  -0.678   1.337  1.00  0.00           C  
HETATM   32  C   UNL     1       8.008  -0.642  -0.044  1.00  0.00           C  
HETATM   33  O   UNL     1       9.128  -0.774  -0.804  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.781   4.424  -1.606  1.00  0.00           H  
HETATM   35  HA  UNL     1      -3.126   2.631   1.297  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.637  -0.050   0.247  1.00  0.00           H  
HETATM   37  HB1 UNL     1      -0.687   2.778   1.445  1.00  0.00           H  
HETATM   38  HB2 UNL     1      -1.215   1.208   2.096  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.323  -1.725  -0.054  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.916  -1.945  -1.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.869  -4.055  -0.469  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.415  -3.893  -0.420  1.00  0.00           H  
HETATM   43  HA  UNL     1       1.999   0.747  -1.273  1.00  0.00           H  
HETATM   44  H1  UNL     1       0.370  -1.080  -1.274  1.00  0.00           H  
HETATM   45  H2  UNL     1       2.012  -1.764  -1.345  1.00  0.00           H  
HETATM   46  H   UNL     1       3.271  -0.055   1.230  1.00  0.00           H  
HETATM   47  H   UNL     1       0.674  -2.833   0.320  1.00  0.00           H  
HETATM   48  H   UNL     1       4.849  -0.264   2.142  1.00  0.00           H  
HETATM   49  H   UNL     1       6.760   0.451  -2.384  1.00  0.00           H  
HETATM   50  H   UNL     1       7.047  -0.564   3.194  1.00  0.00           H  
HETATM   51  H   UNL     1       9.063  -0.809   1.808  1.00  0.00           H  
HETATM   52  H   UNL     1       9.565   0.064  -1.009  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.544   0.845  -0.538  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   16   35                                       
CONECT    5    4    6   36                                            
CONECT    6    5    7   15   15                                       
CONECT    7    6    8   14   14                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   53                                                 
CONECT   10    8    8   11   12                                       
CONECT   11   10   40                                                 
CONECT   12   10   13   13   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14    7    7   13   39                                       
CONECT   15    6    6                                                 
CONECT   16    4   17   37   38                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   23   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   47                                                 
CONECT   23   20   24   46                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   29   29                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   49                                                 
CONECT   29   26   26   30   48                                       
CONECT   30   29   31   31   50                                       
CONECT   31   30   30   32   51                                       
CONECT   32   27   27   31   33                                       
CONECT   33   32   52                                                 
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   14                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   22                                                      
CONECT   48   29                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53    9                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
