REMARK  Name = BDB000644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.718  -1.740   0.417  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.025  -0.423   0.231  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -0.330  -0.328  -0.061  0.00  0.00    +0.049 A 
ATOM      4  N   LIG    1       -1.249  -1.367  -0.229  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -1.058  -2.356  -0.160  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.511  -0.885  -0.512  0.00  0.00    +0.289 C 
ATOM      7  C   LIG    1       -2.366   0.658  -0.525  0.00  0.00    +0.249 C 
ATOM      8  O   LIG    1       -3.228   1.480  -0.732  0.00  0.00    -0.282 OA
ATOM      9  O   LIG    1       -3.524  -1.516  -0.711  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.954   0.911  -0.230  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -0.285   2.112  -0.121  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        1.077   2.046   0.172  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        1.722   0.800   0.346  0.00  0.00    +0.046 A 
ATOM     14 CL   LIG    1        3.414   0.833   0.707  0.00  0.00    -0.083 Cl
ENDROOT
TORSDOF 0