COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.466   4.150  -2.884  1.00  0.00           C  
HETATM    2  C   UNL     1       3.790   3.885  -1.537  1.00  0.00           C  
HETATM    3  C   UNL     1       2.478   0.717  -0.015  1.00  0.00           C  
HETATM    4  C   UNL     1       3.738  -0.151   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       3.341  -1.627  -0.057  1.00  0.00           C  
HETATM    6  C   UNL     1       4.219  -3.944  -0.149  1.00  0.00           C  
HETATM    7  C   UNL     1       1.677   0.482   1.267  1.00  0.00           C  
HETATM    8  C   UNL     1       0.358   1.253   1.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.306  -1.291  -0.688  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.448  -1.159  -0.999  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.806  -1.303  -1.330  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.057  -0.016  -0.281  1.00  0.00           C  
HETATM   13  O   UNL     1       2.560   4.609  -1.471  1.00  0.00           O  
HETATM   14  C   UNL     1       3.509   2.388  -1.394  1.00  0.00           C  
HETATM   15  N   UNL     1       2.860   2.133  -0.101  1.00  0.00           N1+
HETATM   16  CA  UNL     1       4.597  -2.497   0.033  1.00  0.00           C  
HETATM   17  N   UNL     1       5.224  -2.316   1.349  1.00  0.00           N1+
HETATM   18  O   UNL     1       4.106  -4.665   0.814  1.00  0.00           O  
HETATM   19  OXT UNL     1       4.010  -4.433  -1.382  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.474   0.701   0.160  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.841   0.824   0.608  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.760   0.475   2.116  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.841   1.070   2.836  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.408   1.109   2.523  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.616   2.391   3.121  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.703  -0.129  -0.096  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.330  -1.892  -1.220  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.249  -2.408  -2.036  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.654  -0.354  -0.949  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.240   0.703  -0.275  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.979   0.880   0.058  1.00  0.00           N  
HETATM   32  H   UNL     1       3.809   3.825  -3.691  1.00  0.00           H  
HETATM   33  H   UNL     1       4.667   5.216  -2.986  1.00  0.00           H  
HETATM   34  H   UNL     1       5.404   3.597  -2.935  1.00  0.00           H  
HETATM   35  H   UNL     1       4.447   4.210  -0.731  1.00  0.00           H  
HETATM   36  H   UNL     1       1.867   0.453  -0.879  1.00  0.00           H  
HETATM   37  H   UNL     1       4.360   0.094  -0.858  1.00  0.00           H  
HETATM   38  H   UNL     1       4.296   0.039   0.920  1.00  0.00           H  
HETATM   39  H   UNL     1       2.678  -1.859   0.776  1.00  0.00           H  
HETATM   40  H   UNL     1       2.827  -1.827  -0.997  1.00  0.00           H  
HETATM   41  H   UNL     1       1.470  -0.583   1.376  1.00  0.00           H  
HETATM   42  H   UNL     1       2.254   0.829   2.124  1.00  0.00           H  
HETATM   43  H   UNL     1       0.555   2.305   0.988  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.290  -1.657  -0.715  1.00  0.00           H  
HETATM   45  H   UNL     1       1.926   4.371  -2.161  1.00  0.00           H  
HETATM   46  H   UNL     1       2.852   2.063  -2.201  1.00  0.00           H  
HETATM   47  H   UNL     1       4.447   1.835  -1.445  1.00  0.00           H  
HETATM   48  H   UNL     1       2.035   2.709  -0.019  1.00  0.00           H  
HETATM   49  HA  UNL     1       5.299  -2.203  -0.747  1.00  0.00           H  
HETATM   50  H1  UNL     1       4.574  -2.588   2.072  1.00  0.00           H  
HETATM   51  H2  UNL     1       6.052  -2.889   1.408  1.00  0.00           H  
HETATM   52  HXT UNL     1       3.770  -5.367  -1.448  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.201   1.843   0.466  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.743  -0.605   2.265  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.834   0.881   3.784  1.00  0.00           H  
HETATM   56  H   UNL     1       0.132   0.452   3.205  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.094   2.359   3.961  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.620  -3.094  -2.308  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.189  -2.496  -2.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.964   1.451   0.015  1.00  0.00           H  
HETATM   61  H   UNL     1       3.500   2.355   0.646  1.00  0.00           H  
HETATM   62  H3  UNL     1       5.477  -1.347   1.471  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2   13   14    1   35                                       
CONECT    3    4   15    7   36                                       
CONECT    4    5    3   37   38                                       
CONECT    5   16    4   39   40                                       
CONECT    6   18   18   19   16                                       
CONECT    7    3    8   41   42                                       
CONECT    8    7   20   24   43                                       
CONECT    9   26   27   27   44                                       
CONECT   10   12   27   11   11                                       
CONECT   11   10   10   29   28                                       
CONECT   12   26   31   31   10                                       
CONECT   13    2   45                                                 
CONECT   14    2   15   46   47                                       
CONECT   15    3   14   48   61                                       
CONECT   16    6    5   17   49                                       
CONECT   17   16   50   51   62                                       
CONECT   18    6    6                                                 
CONECT   19    6   52                                                 
CONECT   20    8   21                                                 
CONECT   21   20   22   26   53                                       
CONECT   22   23   24   21   54                                       
CONECT   23   22   55                                                 
CONECT   24   25    8   22   56                                       
CONECT   25   24   57                                                 
CONECT   26   21    9   12                                            
CONECT   27    9    9   10                                            
CONECT   28   11   58   59                                            
CONECT   29   30   30   11                                            
CONECT   30   31   29   29   60                                       
CONECT   31   12   12   30                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
