REMARK  Name = BDB000595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.977   3.219  -1.040  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -0.463   2.212  -0.611  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -1.151   1.020  -0.133  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.177   0.109   0.268  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -0.560  -1.101   0.824  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.931  -1.381   0.921  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.896  -0.456   0.483  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.117   0.639   0.082  0.00  0.00    -0.202 N 
ATOM      9  C   LIG    1        2.323  -0.011   0.237  0.00  0.00    +0.241 C 
ATOM     10  O   LIG    1        3.263   0.494   0.853  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -2.508   0.773  -0.048  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        1.044   1.914  -0.471  0.00  0.00    +0.298 C 
ATOM     13  O   LIG    1        1.916   2.673  -0.838  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        2.410  -1.415  -0.335  0.00  0.00    +0.205 C 
ATOM     15 CL   LIG    1        3.857  -1.559  -1.353  0.00  0.00    -0.116 Cl
ENDBRANCH   9  14
TORSDOF 1