REMARK  Name = BDB000639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.770  -0.200  -0.175  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.564  -0.128  -0.118  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.720   1.163   0.075  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.116   2.298   0.200  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.326   0.713   0.075  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.342  -0.669  -0.096  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.828  -1.397  -0.140  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.035  -0.692  -0.004  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -2.041   0.715   0.170  0.00  0.00    +0.060 A 
ATOM     10 CL   LIG    1       -3.510   1.609   0.339  0.00  0.00    -0.082 Cl
ATOM     11 CL   LIG    1       -3.497  -1.613  -0.060  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -0.842   1.435   0.211  0.00  0.00    +0.035 A 
ATOM     13  N   LIG    1        1.641  -1.154  -0.208  0.00  0.00    -0.278 N 
ATOM     14  H   LIG    1        1.914  -2.118  -0.339  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0