COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   ASP A   1      -8.178  -0.696   1.984  1.00  0.00           O  
ATOM      2  C   ASP A   1      -8.557   0.446   2.090  1.00  0.00           C  
ATOM      3  CA  ASP A   1      -8.009   1.510   1.174  1.00  0.00           C  
ATOM      4  CB  ASP A   1      -9.154   2.134   0.374  1.00  0.00           C  
ATOM      5  CG  ASP A   1      -8.625   3.279  -0.450  1.00  0.00           C  
ATOM      6  OD1 ASP A   1      -7.452   3.567  -0.403  1.00  0.00           O  
ATOM      7  OD2 ASP A   1      -9.457   3.980  -1.237  1.00  0.00           O  
ATOM      8  N   ASP A   1      -7.040   0.910   0.253  1.00  0.00           N  
HETATM    9  C   UNK A   0      -5.756   0.756   0.632  1.00  0.00           C  
HETATM   10  O   UNK A   0      -5.402   1.115   1.736  1.00  0.00           O  
HETATM   11  C   UNK A   0      -4.759   0.139  -0.315  1.00  0.00           C  
HETATM   12  C   UNK A   0      -5.203  -1.256  -0.671  1.00  0.00           C  
HETATM   13  S   UNK A   0      -5.475  -2.658   0.400  1.00  0.00           S  
HETATM   14  C   UNK A   0      -5.505  -1.771  -1.888  1.00  0.00           C  
HETATM   15  C   UNK A   0      -5.890  -3.096  -1.979  1.00  0.00           C  
HETATM   16  C   UNK A   0      -5.965  -3.837  -0.847  1.00  0.00           C  
HETATM   17  C   UNK A   0      -3.386   0.082   0.356  1.00  0.00           C  
HETATM   18  C   UNK A   0      -2.349  -0.429  -0.646  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.975  -0.486   0.025  1.00  0.00           C  
HETATM   20  C   UNK A   0       0.061  -0.997  -0.978  1.00  0.00           C  
HETATM   21  N   UNK A   0       1.377  -1.052  -0.335  1.00  0.00           N  
HETATM   22  C   UNK A   0       2.450  -1.475  -1.032  1.00  0.00           C  
HETATM   23  O   UNK A   0       2.327  -1.810  -2.194  1.00  0.00           O  
HETATM   24  C   UNK A   0       3.775  -1.530  -0.385  1.00  0.00           C  
HETATM   25  C   UNK A   0       4.889  -1.968  -1.106  1.00  0.00           C  
HETATM   26  C   UNK A   0       6.124  -2.018  -0.498  1.00  0.00           C  
HETATM   27  C   UNK A   0       6.263  -1.634   0.831  1.00  0.00           C  
HETATM   28  C   UNK A   0       5.157  -1.198   1.551  1.00  0.00           C  
HETATM   29  C   UNK A   0       3.920  -1.139   0.949  1.00  0.00           C  
HETATM   30  O   UNK A   0       7.482  -1.685   1.426  1.00  0.00           O  
HETATM   31  C   UNK A   0       8.161  -0.582   1.023  1.00  0.00           C  
HETATM   32  C   UNK A   0       9.500  -0.410   1.409  1.00  0.00           C  
HETATM   33  N   UNK A   0      10.173   0.650   1.029  1.00  0.00           N  
HETATM   34  N   UNK A   0       7.560   0.315   0.268  1.00  0.00           N  
HETATM   35  C   UNK A   0       8.230   1.405  -0.125  1.00  0.00           C  
HETATM   36  C   UNK A   0       9.582   1.577   0.266  1.00  0.00           C  
HETATM   37  C   UNK A   0      10.280   2.721  -0.156  1.00  0.00           C  
HETATM   38  C   UNK A   0       9.653   3.647  -0.932  1.00  0.00           C  
HETATM   39  C   UNK A   0       8.324   3.479  -1.316  1.00  0.00           C  
HETATM   40  C   UNK A   0       7.616   2.383  -0.926  1.00  0.00           C  
ATOM     41  H   ASP A   1      -9.289   0.705   2.841  1.00  0.00           H  
ATOM     42  HA  ASP A   1      -7.517   2.281   1.767  1.00  0.00           H  
ATOM     43  HB1 ASP A   1      -9.918   2.502   1.059  1.00  0.00           H  
ATOM     44  HB2 ASP A   1      -9.589   1.382  -0.285  1.00  0.00           H  
ATOM     45  HD2 ASP A   1      -9.117   4.715  -1.766  1.00  0.00           H  
ATOM     46  H   ASP A   1      -7.323   0.623  -0.629  1.00  0.00           H  
HETATM   47  H   UNK A   0      -4.696   0.743  -1.220  1.00  0.00           H  
HETATM   48  H   UNK A   0      -5.437  -1.158  -2.775  1.00  0.00           H  
HETATM   49  H   UNK A   0      -6.132  -3.532  -2.937  1.00  0.00           H  
HETATM   50  H   UNK A   0      -6.248  -4.873  -0.730  1.00  0.00           H  
HETATM   51  H   UNK A   0      -3.104   1.079   0.694  1.00  0.00           H  
HETATM   52  H   UNK A   0      -3.427  -0.593   1.211  1.00  0.00           H  
HETATM   53  H   UNK A   0      -2.630  -1.426  -0.984  1.00  0.00           H  
HETATM   54  H   UNK A   0      -2.308   0.246  -1.502  1.00  0.00           H  
HETATM   55  H   UNK A   0      -0.694   0.511   0.362  1.00  0.00           H  
HETATM   56  H   UNK A   0      -1.017  -1.161   0.880  1.00  0.00           H  
HETATM   57  H   UNK A   0      -0.220  -1.994  -1.316  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.103  -0.322  -1.833  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.475  -0.784   0.592  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.782  -2.267  -2.138  1.00  0.00           H  
HETATM   61  H   UNK A   0       6.986  -2.357  -1.054  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.269  -0.900   2.583  1.00  0.00           H  
HETATM   63  H   UNK A   0       3.062  -0.800   1.509  1.00  0.00           H  
HETATM   64  H   UNK A   0       9.979  -1.156   2.025  1.00  0.00           H  
HETATM   65  H   UNK A   0      11.310   2.865   0.135  1.00  0.00           H  
HETATM   66  H   UNK A   0      10.193   4.525  -1.254  1.00  0.00           H  
HETATM   67  H   UNK A   0       7.849   4.228  -1.931  1.00  0.00           H  
HETATM   68  H   UNK A   0       6.587   2.266  -1.231  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    8   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   45                                                 
CONECT    8    3    9   46                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17   47                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   16                                                 
CONECT   14   12   12   15   48                                       
CONECT   15   14   16   16   49                                       
CONECT   16   13   15   15   50                                       
CONECT   17   11   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   20   55   56                                       
CONECT   20   19   21   57   58                                       
CONECT   21   20   22   59                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   29                                       
CONECT   25   24   24   26   60                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   62                                       
CONECT   29   24   28   28   63                                       
CONECT   30   27   31                                                 
CONECT   31   30   32   32   34                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   36   36                                            
CONECT   34   31   35   35                                            
CONECT   35   34   34   36   40                                       
CONECT   36   33   33   35   37                                       
CONECT   37   36   38   38   65                                       
CONECT   38   37   37   39   66                                       
CONECT   39   38   40   40   67                                       
CONECT   40   35   39   39   68                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
