REMARK  Name = BDB045530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.366  -0.395   0.108  0.00  0.00    +0.200 C 
ATOM      2  C   LIG    1       -0.546  -0.106  -1.387  0.00  0.00    +0.067 C 
ATOM      3  C   LIG    1       -0.197  -1.879   0.449  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.658   0.089   0.818  0.00  0.00    +0.351 C 
ATOM      5  O   LIG    1       -1.720   0.974   1.665  0.00  0.00    -0.246 OA
BRANCH   4   6
ATOM      6  O   LIG    1       -2.749  -0.606   0.367  0.00  0.00    -0.462 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.621   0.919   0.185  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1       -4.011  -0.242   0.947  0.00  0.00    +0.229 C 
ENDBRANCH   6   8
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   1   9
ATOM      9  O   LIG    1        0.667   0.414   0.695  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1        1.989   0.368   0.387  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        2.761   1.284   1.113  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.142   1.375   0.927  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.763   0.543   0.004  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        6.462   0.642  -0.238  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        4.010  -0.374  -0.726  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        2.624  -0.460  -0.533  0.00  0.00    +0.047 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5