REMARK  Name = BDB000685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.703   0.086   0.063  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.053  -1.337  -0.131  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.193  -2.193  -0.324  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        2.400  -1.677  -0.088  0.00  0.00    -0.421 OA
ATOM      5  C   LIG    1        3.413  -0.724   0.130  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1        3.072   0.613   0.312  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.085   1.552   0.528  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        5.419   1.138   0.559  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        5.757  -0.203   0.377  0.00  0.00    +0.039 A 
ATOM     10 CL   LIG    1        6.661   2.299   0.826  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        4.747  -1.140   0.161  0.00  0.00    +0.062 A 
ATOM     12 BR   LIG    1        5.226  -2.955  -0.085  0.00  0.00    -0.046 Br
ATOM     13  C   LIG    1        1.670   0.997   0.272  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  15
ATOM     14  O   LIG    1       -0.931   1.792   0.210  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -0.714   0.594   0.041  0.00  0.00    +0.255 C 
ATOM     16  N   LIG    1       -1.675  -0.370  -0.176  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -1.349  -1.329  -0.300  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.074  -0.203  -0.249  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -3.729   1.022  -0.107  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.123   1.094  -0.195  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.874  -0.056  -0.425  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.232  -1.282  -0.568  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.839  -1.354  -0.481  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 2