REMARK  Name = BDB050518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.417  -1.446  -0.545  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.271  -0.568  -0.513  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.217   0.083  -1.280  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -2.038  -1.083  -0.150  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -1.007  -0.133  -0.147  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1        0.380  -0.489   0.026  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        1.329   0.508   0.330  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        2.673   0.193   0.561  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.120  -1.125   0.455  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        2.205  -2.113   0.089  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.567  -1.460   0.661  0.00  0.00    +0.044 C 
ATOM     12  O   LIG    1        1.029   1.846   0.441  0.00  0.00    -0.486 OA
ATOM     13  C   LIG    1       -0.138   2.184  -0.312  0.00  0.00    +0.188 C 
ATOM     14  C   LIG    1       -0.452   3.649  -0.037  0.00  0.00    +0.053 C 
ATOM     15  C   LIG    1        0.855  -1.798  -0.121  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -1.301   1.288   0.095  0.00  0.00    +0.159 C 
ATOM     17  O   LIG    1       -1.927  -2.271   0.141  0.00  0.00    -0.252 OA
ENDROOT
TORSDOF 0