REMARK  Name = BDB000594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.415  -0.128  -0.111  0.00  0.00    +0.110 C 
ATOM      2  C   LIG    1        2.029  -0.691  -0.316  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        0.964   0.134   0.038  0.00  0.00    -0.203 N 
ATOM      4  C   LIG    1       -0.404  -0.232  -0.087  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -1.245   0.792   0.343  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.626   0.711   0.334  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.189  -0.473  -0.136  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.366  -1.524  -0.577  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.403   1.895   0.775  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.769   2.961   1.214  0.00  0.00    -0.282 OA
ATOM     11  C   LIG    1       -0.968  -1.409  -0.555  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.048   1.431   0.562  0.00  0.00    +0.298 C 
ATOM     13  O   LIG    1        2.013   2.119   0.824  0.00  0.00    -0.266 OA
ATOM     14  O   LIG    1        1.905  -1.828  -0.775  0.00  0.00    -0.275 OA
ENDROOT
TORSDOF 0