REMARK  Name = BDB000627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.697  -0.517  -0.326  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.505  -0.337  -0.219  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.794   1.020   0.046  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.303   2.107   0.187  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.365   0.700   0.088  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.245  -0.672  -0.124  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.988  -1.290  -0.142  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.109  -0.478   0.062  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.986   0.911   0.277  0.00  0.00    +0.021 A 
ATOM     10 CL   LIG    1       -3.677  -1.190   0.050  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -0.727   1.520   0.292  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        1.490  -1.271  -0.302  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        1.664  -2.251  -0.471  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0