REMARK  Name = BDB000591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.953  -2.402  -0.057  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -1.601  -1.246  -0.015  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -0.226  -0.750  -0.028  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.289   0.639   0.036  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1        0.870   1.393   0.040  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.093   0.713  -0.021  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.140  -0.694  -0.085  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.618   1.071   0.088  0.00  0.00    -0.175 N 
ATOM      9 CL   LIG    1       -2.119   2.704   0.174  0.00  0.00    +0.010 Cl
ATOM     10  C   LIG    1        0.965  -1.447  -0.089  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.505   0.008   0.064  0.00  0.00    +0.305 C 
ATOM     12  O   LIG    1       -3.718  -0.018   0.093  0.00  0.00    -0.265 OA
ENDROOT
TORSDOF 0