COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.340  -0.016   1.825  1.00  0.00           O  
HETATM    2  C   UNL     1       6.204  -0.638   0.789  1.00  0.00           C  
HETATM    3  N   UNL     1       7.052  -1.644   0.503  1.00  0.00           N  
HETATM    4  C   UNL     1       6.915  -2.343  -0.641  1.00  0.00           C  
HETATM    5  O   UNL     1       7.681  -3.253  -0.901  1.00  0.00           O  
HETATM    6  C   UNL     1       5.871  -2.010  -1.538  1.00  0.00           C  
HETATM    7  C   UNL     1       5.035  -0.997  -1.226  1.00  0.00           C  
HETATM    8  N   UNL     1       5.206  -0.315  -0.052  1.00  0.00           N  
HETATM    9  C   UNL     1       4.295   0.781   0.289  1.00  0.00           C  
HETATM   10  O   UNL     1       2.922   0.342   0.196  1.00  0.00           O  
HETATM   11  C   UNL     1       4.418   1.924  -0.743  1.00  0.00           C  
HETATM   12  O   UNL     1       5.270   2.958  -0.247  1.00  0.00           O  
HETATM   13  C   UNL     1       2.972   2.443  -0.903  1.00  0.00           C  
HETATM   14  O   UNL     1       2.886   3.814  -0.509  1.00  0.00           O  
HETATM   15  C   UNL     1       2.145   1.551   0.054  1.00  0.00           C  
HETATM   16  C   UNL     1       0.778   1.238  -0.557  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.032   0.495   0.412  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.282   0.110   0.090  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.737   0.377  -1.001  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.115  -0.654   1.087  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.302   0.191   2.349  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.991  -0.577   3.338  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.424  -0.954   0.502  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.496  -0.130   0.500  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.746  -2.044  -0.101  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.968  -1.994  -0.499  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.490  -0.807  -0.146  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.870  -0.326  -0.408  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.777  -1.140  -1.084  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.059  -0.688  -1.325  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.444   0.569  -0.897  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.547   1.381  -0.226  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.265   0.937   0.026  1.00  0.00           C  
HETATM   34  H   UNL     1       7.765  -1.866   1.123  1.00  0.00           H  
HETATM   35  H   UNL     1       5.746  -2.559  -2.460  1.00  0.00           H  
HETATM   36  H   UNL     1       4.233  -0.729  -1.898  1.00  0.00           H  
HETATM   37  H   UNL     1       4.508   1.152   1.292  1.00  0.00           H  
HETATM   38  H   UNL     1       4.794   1.541  -1.692  1.00  0.00           H  
HETATM   39  H   UNL     1       5.335   3.727  -0.829  1.00  0.00           H  
HETATM   40  H   UNL     1       2.632   2.318  -1.931  1.00  0.00           H  
HETATM   41  H   UNL     1       3.433   4.410  -1.038  1.00  0.00           H  
HETATM   42  H   UNL     1       2.025   2.042   1.020  1.00  0.00           H  
HETATM   43  H   UNL     1       0.273   2.169  -0.814  1.00  0.00           H  
HETATM   44  H   UNL     1       0.911   0.636  -1.456  1.00  0.00           H  
HETATM   45  H   UNL     1       0.333   0.282   1.286  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.610  -1.585   1.345  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.327   0.488   2.735  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.884   1.080   2.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.145  -0.103   4.167  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.554   0.862   0.923  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.477  -2.122  -1.419  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.762  -1.318  -1.849  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.448   0.919  -1.088  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.853   2.362   0.106  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.568   1.570   0.555  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    8    3                                       
CONECT    3    2    4   34                                            
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    7    7    4   35                                       
CONECT    7    8    6    6   36                                       
CONECT    8    9    2    7                                            
CONECT    9   11   10    8   37                                       
CONECT   10   15    9                                                 
CONECT   11   12   13    9   38                                       
CONECT   12   11   39                                                 
CONECT   13   14   11   15   40                                       
CONECT   14   13   41                                                 
CONECT   15   13   16   10   42                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   45                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   23   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   21   49                                                 
CONECT   23   20   25   24                                            
CONECT   24   23   27   27   50                                       
CONECT   25   23   26   26                                            
CONECT   26   25   25   27                                            
CONECT   27   26   24   24   28                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   51                                       
CONECT   30   29   31   31   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   33   33   31   54                                       
CONECT   33   28   32   32   55                                       
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
