COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       6.327  -0.380   0.682  1.00  0.00           C  
HETATM    2  C   UNK A   0       6.270   0.021   3.147  1.00  0.00           C  
HETATM    3  C   UNK A   0       5.447   0.603   4.298  1.00  0.00           C  
HETATM    4  C   UNK A   0       8.972  -6.008  -0.367  1.00  0.00           C  
HETATM    5  C   UNK A   0       8.665  -4.558  -0.746  1.00  0.00           C  
HETATM    6  C   UNK A   0       7.751  -3.936   0.312  1.00  0.00           C  
HETATM    7  C   UNK A   0       7.443  -2.486  -0.067  1.00  0.00           C  
HETATM    8  C   UNK A   0       6.530  -1.865   0.991  1.00  0.00           C  
HETATM    9  C   UNK A   0       5.548   0.277   1.823  1.00  0.00           C  
HETATM   10  N   UNK A   0       5.459   1.720   1.586  1.00  0.00           N  
HETATM   11  O   UNK A   0       4.192   2.339   1.456  1.00  0.00           O  
HETATM   12  C   UNK A   0       6.583   2.458   1.492  1.00  0.00           C  
HETATM   13  O   UNK A   0       6.509   3.652   1.296  1.00  0.00           O  
HETATM   14  C   UNK A   0       5.553  -0.236  -0.603  1.00  0.00           C  
HETATM   15  O   UNK A   0       5.199  -1.223  -1.212  1.00  0.00           O  
HETATM   16  N   UNK A   0       5.255   0.990  -1.076  1.00  0.00           N  
HETATM   17  C   UNK A   0       4.503   1.130  -2.326  1.00  0.00           C  
HETATM   18  N   UNK A   0       3.078   1.284  -2.023  1.00  0.00           N  
HETATM   19  C   UNK A   0       2.536   2.515  -1.934  1.00  0.00           C  
HETATM   20  O   UNK A   0       3.231   3.499  -2.106  1.00  0.00           O  
HETATM   21  C   UNK A   0       1.109   2.668  -1.631  1.00  0.00           C  
HETATM   22  C   UNK A   0       0.432   3.861  -1.513  1.00  0.00           C  
HETATM   23  C   UNK A   0      -0.899   3.543  -1.220  1.00  0.00           C  
HETATM   24  C   UNK A   0      -0.983   2.181  -1.171  1.00  0.00           C  
HETATM   25  O   UNK A   0       0.231   1.665  -1.426  1.00  0.00           O  
HETATM   26  C   UNK A   0      -2.207   1.404  -0.890  1.00  0.00           C  
HETATM   27  C   UNK A   0      -3.415   2.066  -0.646  1.00  0.00           C  
HETATM   28  C   UNK A   0      -4.549   1.355  -0.385  1.00  0.00           C  
HETATM   29  C   UNK A   0      -4.513  -0.043  -0.361  1.00  0.00           C  
HETATM   30  C   UNK A   0      -5.741  -0.809  -0.080  1.00  0.00           C  
HETATM   31  O   UNK A   0      -5.709  -2.024  -0.060  1.00  0.00           O  
ATOM     32  N   ASP A   1      -6.900  -0.161   0.154  1.00  0.00           N  
ATOM     33  CA  ASP A   1      -8.120  -0.922   0.434  1.00  0.00           C  
ATOM     34  CB  ASP A   1      -9.086  -0.057   1.245  1.00  0.00           C  
ATOM     35  CG  ASP A   1      -8.483   0.239   2.594  1.00  0.00           C  
ATOM     36  OD1 ASP A   1      -7.393  -0.197   2.877  1.00  0.00           O  
ATOM     37  OD2 ASP A   1      -9.158   0.988   3.481  1.00  0.00           O  
ATOM     38  C   ASP A   1      -8.773  -1.320  -0.865  1.00  0.00           C  
ATOM     39  O   ASP A   1      -8.270  -1.001  -1.916  1.00  0.00           O  
ATOM     40  OXT ASP A   1      -9.913  -2.029  -0.854  1.00  0.00           O  
HETATM   41  C   UNK A   0      -3.307  -0.716  -0.606  1.00  0.00           C  
HETATM   42  O   UNK A   0      -3.266  -2.072  -0.584  1.00  0.00           O  
HETATM   43  C   UNK A   0      -2.003  -2.687  -0.842  1.00  0.00           C  
HETATM   44  C   UNK A   0      -2.154  -4.208  -0.776  1.00  0.00           C  
HETATM   45  C   UNK A   0      -2.159   0.009  -0.875  1.00  0.00           C  
HETATM   46  H   UNK A   0       7.298   0.105   0.578  1.00  0.00           H  
HETATM   47  H   UNK A   0       7.250   0.497   3.124  1.00  0.00           H  
HETATM   48  H   UNK A   0       6.391  -1.053   3.294  1.00  0.00           H  
HETATM   49  H   UNK A   0       5.326   1.676   4.151  1.00  0.00           H  
HETATM   50  H   UNK A   0       4.467   0.127   4.321  1.00  0.00           H  
HETATM   51  H   UNK A   0       5.961   0.421   5.241  1.00  0.00           H  
HETATM   52  H   UNK A   0       8.043  -6.574  -0.311  1.00  0.00           H  
HETATM   53  H   UNK A   0       9.623  -6.450  -1.121  1.00  0.00           H  
HETATM   54  H   UNK A   0       9.470  -6.031   0.603  1.00  0.00           H  
HETATM   55  H   UNK A   0       9.594  -3.991  -0.802  1.00  0.00           H  
HETATM   56  H   UNK A   0       8.166  -4.534  -1.715  1.00  0.00           H  
HETATM   57  H   UNK A   0       6.821  -4.503   0.367  1.00  0.00           H  
HETATM   58  H   UNK A   0       8.249  -3.960   1.281  1.00  0.00           H  
HETATM   59  H   UNK A   0       8.373  -1.920  -0.123  1.00  0.00           H  
HETATM   60  H   UNK A   0       6.945  -2.462  -1.037  1.00  0.00           H  
HETATM   61  H   UNK A   0       6.988  -1.972   1.974  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.565  -2.373   0.982  1.00  0.00           H  
HETATM   63  H   UNK A   0       4.544  -0.147   1.868  1.00  0.00           H  
HETATM   64  H   UNK A   0       4.235   3.293   1.302  1.00  0.00           H  
HETATM   65  H   UNK A   0       7.549   1.985   1.591  1.00  0.00           H  
HETATM   66  H   UNK A   0       5.539   1.780  -0.590  1.00  0.00           H  
HETATM   67  H   UNK A   0       4.856   2.009  -2.866  1.00  0.00           H  
HETATM   68  H   UNK A   0       4.650   0.242  -2.940  1.00  0.00           H  
HETATM   69  H   UNK A   0       2.524   0.499  -1.886  1.00  0.00           H  
HETATM   70  H   UNK A   0       0.847   4.852  -1.624  1.00  0.00           H  
HETATM   71  H   UNK A   0      -1.706   4.242  -1.058  1.00  0.00           H  
HETATM   72  H   UNK A   0      -3.449   3.146  -0.662  1.00  0.00           H  
HETATM   73  H   UNK A   0      -5.478   1.872  -0.197  1.00  0.00           H  
ATOM     74  H   ASP A   1      -6.926   0.808   0.138  1.00  0.00           H  
ATOM     75  HA  ASP A   1      -7.868  -1.817   1.003  1.00  0.00           H  
ATOM     76  HB1 ASP A   1      -9.269   0.878   0.716  1.00  0.00           H  
ATOM     77  HB2 ASP A   1     -10.028  -0.589   1.377  1.00  0.00           H  
ATOM     78  HD2 ASP A   1      -8.730   1.151   4.333  1.00  0.00           H  
ATOM     79  HXT ASP A   1     -10.294  -2.261  -1.712  1.00  0.00           H  
HETATM   80  H   UNK A   0      -1.654  -2.400  -1.834  1.00  0.00           H  
HETATM   81  H   UNK A   0      -1.280  -2.361  -0.095  1.00  0.00           H  
HETATM   82  H   UNK A   0      -2.502  -4.496   0.216  1.00  0.00           H  
HETATM   83  H   UNK A   0      -2.876  -4.535  -1.524  1.00  0.00           H  
HETATM   84  H   UNK A   0      -1.190  -4.678  -0.973  1.00  0.00           H  
HETATM   85  H   UNK A   0      -1.227  -0.502  -1.064  1.00  0.00           H  
CONECT    1    8   14    9   46                                       
CONECT    2    9    3   47   48                                       
CONECT    3    2   49   50   51                                       
CONECT    4    5   52   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7    1   61   62                                       
CONECT    9    1    2   10   63                                       
CONECT   10    9   12   11                                            
CONECT   11   10   64                                                 
CONECT   12   10   13   13   65                                       
CONECT   13   12   12                                                 
CONECT   14   15   15   16    1                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   66                                            
CONECT   17   18   16   67   68                                       
CONECT   18   19   17   69                                            
CONECT   19   21   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   22   25   19                                       
CONECT   22   23   21   21   70                                       
CONECT   23   24   24   22   71                                       
CONECT   24   26   23   23   25                                       
CONECT   25   24   21                                                 
CONECT   26   45   45   27   24                                       
CONECT   27   28   28   26   72                                       
CONECT   28   29   27   27   73                                       
CONECT   29   30   41   41   28                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   74                                            
CONECT   33   34   32   38   75                                       
CONECT   34   35   33   76   77                                       
CONECT   35   36   36   37   34                                       
CONECT   36   35   35                                                 
CONECT   37   35   78                                                 
CONECT   38   33   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   79                                                 
CONECT   41   42   29   29   45                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   80   81                                       
CONECT   44   43   82   83   84                                       
CONECT   45   41   26   26   85                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   40                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
