COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       8.497  -0.748  -1.086  1.00  0.00           N  
HETATM    2  C   UNK A   0      10.045   0.547   0.730  1.00  0.00           C  
HETATM    3  N   UNK A   0       6.577   0.370   0.048  1.00  0.00           N  
HETATM    4  C   UNK A   0       6.573   1.225   1.109  1.00  0.00           C  
HETATM    5  C   UNK A   0       5.403  -0.099  -0.692  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.879  -1.420  -0.087  1.00  0.00           C  
HETATM    7  C   UNK A   0       3.120   0.078  -0.859  1.00  0.00           C  
HETATM    8  C   UNK A   0      -1.756   0.086  -0.303  1.00  0.00           C  
HETATM    9  C   UNK A   0      -2.992   0.766   0.290  1.00  0.00           C  
HETATM   10  C   UNK A   0      -5.479   0.657   0.497  1.00  0.00           C  
HETATM   11  C   UNK A   0      -6.712  -0.122   0.118  1.00  0.00           C  
ATOM     12  CA  ASP A   1      -9.124  -0.463   0.162  1.00  0.00           C  
ATOM     13  CB  ASP A   1     -10.340   0.466   0.183  1.00  0.00           C  
ATOM     14  CG  ASP A   1     -10.187   1.517  -0.886  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.342  -1.301  -0.199  1.00  0.00           C  
HETATM   16  N   UNK A   0      10.854   1.198   1.646  1.00  0.00           N  
HETATM   17  C   UNK A   0       1.903   0.748  -0.275  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.504   0.876   0.082  1.00  0.00           C  
HETATM   19  C   UNK A   0      -4.244  -0.024  -0.096  1.00  0.00           C  
HETATM   20  N   UNK A   0       7.790   1.427   1.522  1.00  0.00           N  
HETATM   21  O   UNK A   0      -6.613  -1.122  -0.560  1.00  0.00           O  
HETATM   22  N   UNK A   0       0.679   0.225  -0.485  1.00  0.00           N  
HETATM   23  O   UNK A   0       2.025   1.758   0.385  1.00  0.00           O  
HETATM   24  O   UNK A   0       4.310   0.833  -0.544  1.00  0.00           O  
HETATM   25  O   UNK A   0       2.819  -2.342  -1.027  1.00  0.00           O  
HETATM   26  O   UNK A   0       5.351  -2.538  -0.842  1.00  0.00           O  
HETATM   27  C   UNK A   0       8.650   0.716   0.754  1.00  0.00           C  
HETATM   28  C   UNK A   0       7.882   0.030  -0.201  1.00  0.00           C  
HETATM   29  C   UNK A   0       9.807  -0.877  -1.071  1.00  0.00           C  
HETATM   30  N   UNK A   0      10.570  -0.252  -0.193  1.00  0.00           N  
ATOM     31  N   ASP A   1      -7.926   0.294   0.532  1.00  0.00           N  
ATOM     32  C   ASP A   1      -9.333  -1.585   1.147  1.00  0.00           C  
ATOM     33  OXT ASP A   1     -10.378  -2.416   1.006  1.00  0.00           O  
ATOM     34  O   ASP A   1      -8.560  -1.737   2.062  1.00  0.00           O  
ATOM     35  OD1 ASP A   1      -9.207   1.523  -1.592  1.00  0.00           O  
HETATM   36  H   UNK A   0       5.689   1.670   1.543  1.00  0.00           H  
HETATM   37  H   UNK A   0       5.647  -0.233  -1.746  1.00  0.00           H  
HETATM   38  H   UNK A   0       5.180  -1.508   0.957  1.00  0.00           H  
HETATM   39  H   UNK A   0       3.011  -0.031  -1.938  1.00  0.00           H  
HETATM   40  H   UNK A   0      -1.679  -0.929   0.086  1.00  0.00           H  
HETATM   41  H   UNK A   0      -1.845   0.053  -1.389  1.00  0.00           H  
HETATM   42  H   UNK A   0      -2.902   0.799   1.376  1.00  0.00           H  
HETATM   43  H   UNK A   0      -3.069   1.782  -0.099  1.00  0.00           H  
HETATM   44  H   UNK A   0      -5.556   1.672   0.108  1.00  0.00           H  
HETATM   45  H   UNK A   0      -5.390   0.689   1.583  1.00  0.00           H  
ATOM     46  HA  ASP A   1      -9.000  -0.876  -0.838  1.00  0.00           H  
ATOM     47  HB1 ASP A   1     -11.244  -0.114  -0.005  1.00  0.00           H  
ATOM     48  HB2 ASP A   1     -10.413   0.947   1.158  1.00  0.00           H  
HETATM   49  H   UNK A   0       2.884  -1.331   0.789  1.00  0.00           H  
HETATM   50  H   UNK A   0      10.458   1.779   2.315  1.00  0.00           H  
HETATM   51  H   UNK A   0      11.815   1.073   1.619  1.00  0.00           H  
HETATM   52  H   UNK A   0      -0.581   1.892  -0.306  1.00  0.00           H  
HETATM   53  H   UNK A   0      -0.415   0.909   1.168  1.00  0.00           H  
HETATM   54  H   UNK A   0      -4.333  -0.056  -1.181  1.00  0.00           H  
HETATM   55  H   UNK A   0      -4.166  -1.039   0.293  1.00  0.00           H  
HETATM   56  H   UNK A   0       0.581  -0.584  -1.013  1.00  0.00           H  
HETATM   57  H   UNK A   0       1.858  -2.316  -1.131  1.00  0.00           H  
HETATM   58  H   UNK A   0       5.052  -3.394  -0.506  1.00  0.00           H  
HETATM   59  H   UNK A   0      10.275  -1.517  -1.804  1.00  0.00           H  
ATOM     60  H   ASP A   1      -8.005   1.094   1.074  1.00  0.00           H  
ATOM     61  HXT ASP A   1     -10.470  -3.120   1.662  1.00  0.00           H  
ATOM     62  OD2 ASP A   1     -11.141   2.447  -1.055  1.00  0.00           O  
ATOM     63  HD2 ASP A   1     -10.998   3.100  -1.753  1.00  0.00           H  
CONECT    1   29   29   28                                            
CONECT    2   30   30   16   27                                       
CONECT    3   28    5    4                                            
CONECT    4    3   20   20   36                                       
CONECT    5    6    3   24   37                                       
CONECT    6   26    5   15   38                                       
CONECT    7   15   24   17   39                                       
CONECT    8   18    9   40   41                                       
CONECT    9    8   19   42   43                                       
CONECT   10   19   11   44   45                                       
CONECT   11   10   31   21   21                                       
CONECT   12   32   31   13   46                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   35   35   62                                       
CONECT   15    6   25    7   49                                       
CONECT   16    2   50   51                                            
CONECT   17    7   23   23   22                                       
CONECT   18   22    8   52   53                                       
CONECT   19    9   10   54   55                                       
CONECT   20   27    4    4                                            
CONECT   21   11   11                                                 
CONECT   22   17   18   56                                            
CONECT   23   17   17                                                 
CONECT   24    5    7                                                 
CONECT   25   15   57                                                 
CONECT   26    6   58                                                 
CONECT   27   28   28    2   20                                       
CONECT   28    1   27   27    3                                       
CONECT   29    1    1   30   59                                       
CONECT   30   29    2    2                                            
CONECT   31   12   11   60                                            
CONECT   32   34   34   33   12                                       
CONECT   33   32   61                                                 
CONECT   34   32   32                                                 
CONECT   35   14   14                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   14   63                                                 
CONECT   63   62                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
